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SCFIB Overlaps. last updated:09 MAY 2021

Some structures are found in two sources. The overlaps can be calculated in a variety of ways depending upon the definition of structural identity. When viewing these numbers, please ensure you understand the provisos in their calculation.

On this page are shown overlaps calculated on the basis of structural identity defined as SCFIB (ie: identity of the connectivity layer of the InChIKey after all InChIs containing multiple components have been split into separate component InChIs.) For more information on the definition of these definitions of structural identity go here .

All overlaps shown are up to date (no source has been updated since these overlaps were last calculated).


Key to Matrices.

Matrix 1: The Intersection. The absolute number of structures common between sources X and Y.
Matrix 2: The Union. The absolute number of structures in the union of X and Y.
Matrix 3: The 'Jaccard Distance'. The difference between the Union and the Intersection, divided by the Union..
Matrix 4: The Percent of source 'X' (header row) which overlaps with source 'Y' (first two columns).
Matrix 5: The Percent of source 'Y' (first two columns) which overlaps with source 'X' (header row).
Matrix 6: Exclusivity: The absolute number of structures in source 'Y' (first two columns) which do NOT occur in source 'X' (header row).
Matrix 7: Exclusivity: The Percent of structures in source 'Y' (first two columns) which do NOT occur in source 'X' (header row).

NB: Default Heatmap settings apply to all matrices combined, and are not reset on selection of an alternative matrix view.

Matrix 1
Matrix 2
Matrix 3
Matrix 4
Matrix 5
Matrix 6
Matrix 7
Matrix 1: The Intersection. The absolute number of structures common between sources X and Y.
<------------------------------------------------------------ 'X' sources ------------------------------------------------------------->
src_id ('Y') src_name ('Y') 1             chembl 2             drugbank 3             pdb 4             gtopdb 5             pubchem_do 6             kegg_ligan 7             chebi 8             nih_ncc 9             zinc 10             emolecules 11             ibm 12             atlas 14             fdasrs 15             surechembl 17             pharmgkb 18             hmdb 20             selleck 21             pubchem_tp 22             pubchem 23             mcule 24             nmrshiftdb 25             lincs 26             actor 27             recon 28             molport 29             nikkaji 31             bindingdb 32             comptox 33             lipidmaps 34             drugcentra 35             carotenoid 36             metaboligh 37             brenda 38             rhea 39             chemicalbo 40             dailymed_o 41             swisslipid 45             dailymed 46             clinicaltr 47             rxnorm
1 chembl 1869603 8334 16033 6831 4581 7268 31490 709 1464199 441286 270588 596 22968 510427 1547 8213 1823 461328 1844995 460439 8249 17072 67937 772 458971 230853 460871 72540 3987 3855 80 7482 52922 2754 24697 1562 493 1710 4469 4044
2 drugbank 8334 10542 5939 2777 2006 2438 5239 613 9135 5100 7841 402 6383 9150 1505 2550 1358 8499 10443 2681 990 2334 5907 508 5767 7657 3937 5889 495 3079 18 1358 4330 1119 5079 1465 161 1581 3862 3078
3 pdb 16033 5939 31809 2116 1014 2604 5203 331 23014 8115 11532 364 4427 16784 698 2370 866 12714 30763 5620 1658 1530 6692 660 9094 11444 8080 7097 807 1016 39 2067 7677 1998 5615 745 330 785 1417 1437
4 gtopdb 6831 2777 2116 8162 1507 1473 3186 530 6409 3768 5029 312 3682 6540 1165 1609 1165 6184 7999 1528 428 2233 3355 380 4829 5118 4029 3687 383 1576 6 792 2365 567 3468 1087 151 1160 2208 1630
5 pubchem_dotf 4581 2006 1014 1507 5639 897 2295 410 4866 2383 4276 204 3243 4928 810 1026 884 5109 5599 1022 289 1383 3939 108 2589 4496 2037 3094 201 1472 4 439 1562 261 2160 773 34 793 1597 1198
6 kegg_ligand 7268 2438 2604 1473 897 12870 12500 459 11152 6369 8064 414 6218 9592 945 4525 734 8904 12736 3576 1860 1480 10201 994 5989 12174 2500 7947 2249 1428 152 4053 6716 3668 5273 909 322 941 1363 1880
7 chebi 31490 5239 5203 3186 2295 12500 72626 693 49171 24334 20899 580 12937 27083 1517 10658 1540 27515 71475 16493 3646 20912 21087 1265 23161 32114 9192 18409 6924 3848 239 15546 14464 7675 11736 1496 3202 1574 2750 3722
8 nih_ncc 709 613 331 530 410 459 693 718 694 696 676 149 643 699 493 534 421 693 709 511 146 672 687 45 646 675 454 684 59 590 3 122 505 93 650 498 11 503 573 589
9 zinc 1464199 9135 23014 6409 4866 11152 49171 694 11501705 4562436 577552 582 33507 907885 1523 33995 1799 611742 10651365 5768182 19530 19513 192843 1183 6306680 449591 378658 307990 29147 3689 647 13501 61916 5780 89939 1441 20839 1555 3824 4345
10 emolecules 441286 5100 8115 3768 2383 6369 24334 696 4562436 5010355 208767 586 20995 300442 1430 7687 1649 138009 4912769 4384100 13965 13206 104367 831 4089627 146739 63187 180290 3158 2847 58 4538 20178 2878 66365 1393 633 1463 2659 3815
11 ibm 270588 7841 11532 5029 4276 8064 20899 676 577552 208767 7464517 544 30594 5765084 1518 10361 1664 1028774 7028486 158377 17031 4805 130372 943 232828 347104 119982 261463 6342 3519 190 5922 33205 4053 75082 1433 1065 1532 3747 4348
12 atlas 596 402 364 312 204 414 580 149 582 586 544 653 519 620 249 360 234 594 640 378 200 353 567 84 553 579 359 574 88 282 5 187 502 163 517 248 17 253 320 345
14 fdasrs 22968 6383 4427 3682 3243 6218 12937 643 33507 20995 30594 519 45951 36691 1413 6610 1561 30415 45451 11918 5830 3139 31731 667 20993 34962 7463 30700 2380 3453 91 3703 9743 2333 18097 1446 376 1578 4111 4412
15 surechembl 510427 9150 16784 6540 4928 9592 27083 699 907885 300442 5765084 620 36691 17982569 1625 12827 1829 1391158 16866618 248326 19562 6160 160661 1131 345837 476569 300482 326183 7949 3930 494 7595 43421 5030 88056 1557 1532 1694 4349 4925
17 pharmgkb 1547 1505 698 1165 810 945 1517 493 1523 1430 1518 249 1413 1625 1631 1353 742 1560 1607 887 286 1098 1519 132 1358 1513 909 1510 101 1392 5 277 1024 212 1395 1024 26 1026 1277 1399
18 hmdb 8213 2550 2370 1609 1026 4525 10658 534 33995 7687 10361 360 6610 12827 1353 96249 864 12212 95960 4176 2155 1498 10017 1385 7638 16879 2624 8721 9509 1632 194 5589 6633 3150 6202 1117 19971 1148 1575 2315
20 selleck 1823 1358 866 1165 884 734 1540 421 1799 1649 1664 234 1561 1829 742 864 1851 1800 1830 912 269 1359 1346 100 1800 1651 1165 1644 128 987 4 313 1098 232 1759 762 20 779 1210 1042
21 pubchem_tpharma 461328 8499 12714 6184 5109 8904 27515 693 611742 138009 1028774 594 30415 1391158 1560 12212 1800 3471234 3436418 100425 20573 5292 92649 977 138555 785800 168750 148509 6952 3877 315 9881 45160 4198 51498 1540 1147 1659 4170 4721
22 pubchem 1844995 10443 30763 7999 5599 12736 71475 709 10651365 4912769 7028486 640 45451 16866618 1607 95960 1830 3436418 87086954 7865142 41970 21748 355370 1419 7429423 2826103 574941 678238 38422 3945 813 15397 85366 7557 98682 1555 33934 1697 4440 5095
23 mcule 460439 2681 5620 1528 1022 3576 16493 511 5768182 4384100 158377 378 11918 248326 887 4176 912 100425 7865142 31264325 10039 11013 72785 405 5469887 100226 59916 104166 1415 1651 19 2457 13390 1528 32991 888 125 924 1378 2272
24 nmrshiftdb2 8249 990 1658 428 289 1860 3646 146 19530 13965 17031 200 5830 19562 286 2155 269 20573 41970 10039 42452 535 13575 228 13448 25138 2292 15805 625 495 23 1338 4436 938 10416 333 48 355 498 1013
25 lincs 17072 2334 1530 2233 1383 1480 20912 672 19513 13206 4805 353 3139 6160 1098 1498 1359 5292 21748 11013 535 22009 3690 160 12703 4616 5986 4047 334 1688 4 1153 2420 388 3355 1011 68 1035 1821 1675
26 actor 67937 5907 6692 3355 3939 10201 21087 687 192843 104367 130372 567 31731 160661 1519 10017 1346 92649 355370 72785 13575 3690 361755 1021 96447 163858 15565 229602 4875 3703 136 6244 19632 3826 47975 1429 720 1508 3023 4489
27 recon 772 508 660 380 108 994 1265 45 1183 831 943 84 667 1131 132 1385 100 977 1419 405 228 160 1021 1434 741 1216 353 824 552 183 12 1112 1117 1059 648 160 293 174 234 298
28 molport 458971 5767 9094 4829 2589 5989 23161 646 6306680 4089627 232828 553 20993 345837 1358 7638 1800 138555 7429423 5469887 13448 12703 96447 741 7613975 143830 62402 171645 3273 2781 62 4729 19644 2778 78674 1409 670 1524 3387 3739
29 nikkaji 230853 7657 11444 5118 4496 12174 32114 675 449591 146739 347104 579 34962 476569 1513 16879 1651 785800 2826103 100226 25138 4616 163858 1216 143830 3006542 73289 227064 11817 3769 648 11547 35363 5784 57560 1494 1646 1603 3602 4691
31 bindingdb 460871 3937 8080 4029 2037 2500 9192 454 378658 63187 119982 359 7463 300482 909 2624 1165 168750 574941 59916 2292 5986 15565 353 62402 73289 583080 19806 934 1518 9 1808 25484 985 8402 874 139 919 1986 1695
32 comptox 72540 5889 7097 3687 3094 7947 18409 684 307990 180290 261463 574 30700 326183 1510 8721 1644 148509 678238 104166 15805 4047 229602 824 171645 227064 19806 686557 4156 3423 79 4909 18934 3064 72246 1466 572 1556 3225 4418
33 lipidmaps 3987 495 807 383 201 2249 6924 59 29147 3158 6342 88 2380 7949 101 9509 128 6952 38422 1415 625 334 4875 552 3273 11817 934 4156 39198 195 221 3762 3349 2168 2177 117 12088 136 246 515
34 drugcentral 3855 3079 1016 1576 1472 1428 3848 590 3689 2847 3519 282 3453 3930 1392 1632 987 3877 3945 1651 495 1688 3703 183 2781 3769 1518 3423 195 3973 6 489 1592 336 2740 1403 54 1469 2198 2579
35 carotenoiddb 80 18 39 6 4 152 239 3 647 58 190 5 91 494 5 194 4 315 813 19 23 4 136 12 62 648 9 79 221 6 998 91 174 118 60 5 6 9 12 16
36 metabolights 7482 1358 2067 792 439 4053 15546 122 13501 4538 5922 187 3703 7595 277 5589 313 9881 15397 2457 1338 1153 6244 1112 4729 11547 1808 4909 3762 489 91 15570 5503 4026 3556 333 2055 366 601 921
37 brenda 52922 4330 7677 2365 1562 6716 14464 505 61916 20178 33205 502 9743 43421 1024 6633 1098 45160 85366 13390 4436 2420 19632 1117 19644 35363 25484 18934 3349 1592 174 5503 122261 5855 11882 1023 1017 1072 1878 2365
38 rhea 2754 1119 1998 567 261 3668 7675 93 5780 2878 4053 163 2333 5030 212 3150 232 4198 7557 1528 938 388 3826 1059 2778 5784 985 3064 2168 336 118 4026 5855 7676 2238 279 1331 300 436 735
39 chemicalbook 24697 5079 5615 3468 2160 5273 11736 650 89939 66365 75082 517 18097 88056 1395 6202 1759 51498 98682 32991 10416 3355 47975 648 78674 57560 8402 72246 2177 2740 60 3556 11882 2238 100382 1459 290 1567 3192 3856
40 dailymed_old 1562 1465 745 1087 773 909 1496 498 1441 1393 1433 248 1446 1557 1024 1117 762 1540 1555 888 333 1011 1429 160 1409 1494 874 1466 117 1403 5 333 1023 279 1459 1568 33 1534 1469 1547
41 swisslipids 493 161 330 151 34 322 3202 11 20839 633 1065 17 376 1532 26 19971 20 1147 33934 125 48 68 720 293 670 1646 139 572 12088 54 6 2055 1017 1331 290 33 408189 38 68 141
45 dailymed 1710 1581 785 1160 793 941 1574 503 1555 1463 1532 253 1578 1694 1026 1148 779 1659 1697 924 355 1035 1508 174 1524 1603 919 1556 136 1469 9 366 1072 300 1567 1534 38 1710 1596 1681
46 clinicaltrials 4469 3862 1417 2208 1597 1363 2750 573 3824 2659 3747 320 4111 4349 1277 1575 1210 4170 4440 1378 498 1821 3023 234 3387 3602 1986 3225 246 2198 12 601 1878 436 3192 1469 68 1596 4475 2252
47 rxnorm 4044 3078 1437 1630 1198 1880 3722 589 4345 3815 4348 345 4412 4925 1399 2315 1042 4721 5095 2272 1013 1675 4489 298 3739 4691 1695 4418 515 2579 16 921 2365 735 3856 1547 141 1681 2252 5138