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SCFIB Overlaps. last updated:17 MAY 2020

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 41             swisslipid 45             dailymed 46             clinicaltr
1 chembl 1753878 7960 14324 6107 4534 7200 30365 706 1434185 422812 265434 596 22099 482102 1544 8086 1810 456278 1730612 435184 8043 16999 66594 757 424092 227089 406817 70205 3721 3778 76 7312 50784 2549 20309 476 1673 4462
2 drugbank 7960 10175 5856 2490 1971 2387 5084 611 8907 4980 7625 398 6003 8785 1504 2515 1345 8213 10078 2617 949 2307 5746 503 5498 7451 3559 5735 469 2964 16 1315 4235 1072 4459 158 1547 3721
3 pdb 14324 5856 29297 1893 969 2546 4958 315 22233 7550 10976 356 4184 15644 681 2324 835 12303 28571 5109 1591 1444 6385 665 8081 11001 6816 6710 764 956 35 2009 7389 1915 4806 314 755 1352
4 gtopdb 6107 2490 1893 7363 1382 1372 2968 496 6056 3582 4748 305 3334 6050 1081 1518 1109 5745 7286 1448 410 2123 3104 375 4411 4752 3570 3456 373 1390 6 746 2170 531 2751 151 1055 2028
5 pubchem_dotf 4534 1971 969 1382 5639 897 2276 410 4866 2383 4276 204 3218 4922 810 1026 884 5109 5599 1022 287 1380 3939 108 2692 4496 1884 3094 198 1456 4 434 1558 253 1960 34 788 1591
6 kegg_ligand 7200 2387 2546 1372 897 12870 12490 459 11152 6369 8064 414 6187 9548 945 4525 734 8904 12732 3576 1856 1478 10201 994 5736 12174 2230 7947 2230 1426 152 4020 6701 3621 4917 321 931 1365
7 chebi 30365 5084 4958 2968 2276 12490 58450 693 47256 23665 19736 579 12439 25305 1513 10166 1532 25070 57310 16177 3490 20905 20276 1245 22126 30112 8291 17441 6023 3830 227 15309 13356 7235 10395 3169 1560 2734
8 nih_ncc 706 611 315 496 410 459 693 718 694 696 676 149 638 699 493 534 421 693 709 511 146 672 687 45 652 675 443 684 59 590 3 122 504 88 636 11 502 572
9 zinc 1434185 8907 22233 6056 4866 11152 47256 694 11501705 4562436 577552 582 32635 900488 1523 33995 1799 611742 10650353 5768182 19307 19477 192843 1183 6275490 449591 352844 307990 28623 3636 647 13338 60878 5531 72911 20836 1526 3817
10 emolecules 422812 4980 7550 3582 2383 6369 23665 696 4562436 5010355 208767 586 20613 297154 1430 7687 1649 138009 4913114 4384100 13807 13193 104367 831 4109461 146739 60250 180290 3121 2836 57 4455 19876 2740 56903 633 1446 2656
11 ibm 265434 7625 10976 4748 4276 8064 19736 676 577552 208767 7464517 544 29757 5763230 1518 10361 1664 1028774 7026786 158377 16675 4788 130372 943 222592 347104 110711 261463 6242 3479 189 5794 32912 3866 62888 1064 1506 3737
12 atlas 596 398 356 305 204 414 579 149 582 586 544 653 515 620 249 360 234 594 640 378 198 351 567 84 549 579 335 574 89 282 5 186 500 160 505 17 252 320
14 fdasrs 22099 6003 4184 3334 3218 6187 12439 638 32635 20613 29757 515 44005 35487 1405 6539 1551 29669 43543 11727 5743 3101 31038 664 20229 33986 6622 29971 2323 3365 87 3564 9576 2211 16279 367 1543 4093
15 surechembl 482102 8785 15644 6050 4922 9548 25305 699 900488 297154 5763230 620 35487 17275901 1625 12748 1828 1388917 15994290 244711 19104 6072 160013 1131 324332 472908 243600 324586 7676 3858 491 7394 42464 4776 71205 1513 1656 4335
17 pharmgkb 1544 1504 681 1081 810 945 1513 493 1523 1430 1518 249 1405 1625 1631 1353 742 1560 1607 887 283 1094 1519 132 1368 1513 862 1510 101 1388 5 276 1014 210 1346 26 1026 1275
18 hmdb 8086 2515 2324 1518 1026 4525 10166 534 33995 7687 10361 360 6539 12748 1353 96249 864 12212 95957 4176 2150 1495 10017 1385 7212 16879 2359 8721 9477 1631 194 5512 6604 3051 5748 19972 1142 1575
20 selleck 1810 1345 835 1109 884 734 1532 421 1799 1649 1664 234 1551 1828 742 864 1851 1800 1830 912 269 1351 1346 100 1800 1651 1098 1644 127 976 4 312 1090 228 1713 20 775 1206
21 pubchem_tpharma 456278 8213 12303 5745 5109 8904 25070 693 611742 138009 1028774 594 29669 1388917 1560 12212 1800 3471234 3436412 100425 20313 5266 92649 977 133144 785800 154326 148509 6622 3820 314 9723 44602 3972 44560 1146 1626 4160
22 pubchem 1730612 10078 28571 7286 5599 12732 57310 709 10650353 4913114 7026786 640 43543 15994290 1607 95957 1830 3436412 81203486 8009089 41422 21703 355348 1420 7224166 2826006 480942 678240 37436 3878 809 15158 82939 7123 77953 33886 1660 4428
23 mcule 435184 2617 5109 1448 1022 3576 16177 511 5768182 4384100 158377 378 11727 244711 887 4176 912 100425 8009089 31264325 10009 11006 72785 405 5524407 100226 57096 104166 1397 1647 18 2419 13121 1457 28950 126 912 1380
24 nmrshiftdb2 8043 949 1591 410 287 1856 3490 146 19307 13807 16675 198 5743 19104 283 2150 269 20313 41422 10009 41826 535 13399 228 13007 24789 2118 15546 610 489 23 1301 4408 896 9750 48 346 493
25 lincs 16999 2307 1444 2123 1380 1478 20905 672 19477 13193 4788 351 3101 6072 1094 1495 1351 5266 21703 11006 535 21964 3685 160 12673 4598 5764 4035 332 1670 4 1143 2394 377 3029 66 1030 1811
26 actor 66594 5746 6385 3104 3939 10201 20276 687 192843 104367 130372 567 31038 160013 1519 10017 1346 92649 355348 72785 13399 3685 361755 1021 94041 163858 14316 229602 4812 3690 135 6120 19502 3657 42732 720 1491 3018
27 recon 757 503 665 375 108 994 1245 45 1183 831 943 84 664 1131 132 1385 100 977 1420 405 228 160 1021 1434 716 1216 326 824 552 183 12 1101 1116 1047 608 294 172 235
28 molport 424092 5498 8081 4411 2692 5736 22126 652 6275490 4109461 222592 549 20229 324332 1368 7212 1800 133144 7224166 5524407 13007 12673 94041 716 7350411 136454 58799 165518 2919 2763 58 4389 18713 2527 62980 537 1503 3383
29 nikkaji 227089 7451 11001 4752 4496 12174 30112 675 449591 146739 347104 579 33986 472908 1513 16879 1651 785800 2826006 100226 24789 4598 163858 1216 136454 3006542 67518 227064 11320 3724 647 11353 35009 5486 49086 1644 1576 3597
31 bindingdb 406817 3559 6816 3570 1884 2230 8291 443 352844 60250 110711 335 6622 243600 862 2359 1098 154326 480942 57096 2118 5764 14316 326 58799 67518 486554 18251 757 1394 7 1498 22660 850 6524 124 854 1805
32 comptox 70205 5735 6710 3456 3094 7947 17441 684 307990 180290 261463 574 29971 324586 1510 8721 1644 148509 678240 104166 15546 4035 229602 824 165518 227064 18251 686557 4102 3392 79 4798 18796 2918 60971 573 1533 3218
33 lipidmaps 3721 469 764 373 198 2230 6023 59 28623 3121 6242 89 2323 7676 101 9477 127 6622 37436 1397 610 332 4812 552 2919 11320 757 4102 37682 192 222 3521 3300 2073 1956 12038 135 246
34 drugcentral 3778 2964 956 1390 1456 1426 3830 590 3636 2836 3479 282 3365 3858 1388 1631 976 3820 3878 1647 489 1670 3690 183 2763 3724 1394 3392 192 3903 6 485 1568 332 2524 53 1406 2130
35 carotenoiddb 76 16 35 6 4 152 227 3 647 57 189 5 87 491 5 194 4 314 809 18 23 4 135 12 58 647 7 79 222 6 995 90 174 117 55 6 9 12
36 metabolights 7312 1315 2009 746 434 4020 15309 122 13338 4455 5794 186 3564 7394 276 5512 312 9723 15158 2419 1301 1143 6120 1101 4389 11353 1498 4798 3521 485 90 15313 5398 3856 3205 2046 362 596
37 brenda 50784 4235 7389 2170 1558 6701 13356 504 60878 19876 32912 500 9576 42464 1014 6604 1090 44602 82939 13121 4408 2394 19502 1116 18713 35009 22660 18796 3300 1568 174 5398 121927 5642 10761 1019 1052 1862
38 rhea 2549 1072 1915 531 253 3621 7235 88 5531 2740 3866 160 2211 4776 210 3051 228 3972 7123 1457 896 377 3657 1047 2527 5486 850 2918 2073 332 117 3856 5642 7235 2001 1309 294 431
39 chemicalbook 20309 4459 4806 2751 1960 4917 10395 636 72911 56903 62888 505 16279 71205 1346 5748 1713 44560 77953 28950 9750 3029 42732 608 62980 49086 6524 60971 1956 2524 55 3205 10761 2001 79064 260 1502 2894
41 swisslipids 476 158 314 151 34 321 3169 11 20836 633 1064 17 367 1513 26 19972 20 1146 33886 126 48 66 720 294 537 1644 124 573 12038 53 6 2046 1019 1309 260 408181 38 68
45 dailymed 1673 1547 755 1055 788 931 1560 502 1526 1446 1506 252 1543 1656 1026 1142 775 1626 1660 912 346 1030 1491 172 1503 1576 854 1533 135 1406 9 362 1052 294 1502 38 1673 1564
46 clinicaltrials 4462 3721 1352 2028 1591 1365 2734 572 3817 2656 3737 320 4093 4335 1275 1575 1206 4160 4428 1380 493 1811 3018 235 3383 3597 1805 3218 246 2130 12 596 1862 431 2894 68 1564 4462