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SCFIB Overlaps. last updated:18 FEB 2018

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
1 chembl 1558338 6211 11683 5375 4496 7111 29341 706 1423705 417102 246928 603 19373 390123 1542 7882 1809 436158 1516943 429029 7807 16371 65229 748 422654 216156 469496 65763 3511 3771 74 6922 46117 2232
2 drugbank 6211 8393 5535 2059 1666 2097 4039 584 7494 4130 6284 375 4371 7065 1478 2332 1223 6623 8208 2213 819 1642 4523 479 3817 5988 4150 4463 396 2266 14 1158 3689 951
3 pdb 11683 5535 23847 1578 886 2363 4401 293 20459 6356 9869 341 3521 13272 635 2169 774 11238 21359 4095 1462 1120 5668 642 6037 9614 8022 5726 702 875 30 1819 6445 1691
4 gtopdb 5375 2059 1578 6387 1332 1338 2798 486 5615 3411 4457 298 2902 5336 1044 1485 1066 5334 6337 1356 398 1741 2991 373 3509 4339 4367 3182 362 1332 5 717 1963 507
5 pubchem_dotf 4496 1666 886 1332 5639 897 2246 410 4866 2383 4276 204 3116 4906 808 1034 884 5109 5558 1022 281 1091 3939 108 2254 4480 2458 2959 198 1453 4 424 1485 232
6 kegg_ligand 7111 2097 2363 1338 897 12870 12424 459 11152 6369 8064 414 5954 9466 950 4546 734 8904 12691 3576 1832 1395 10201 994 5164 12168 2990 7595 2218 1426 152 3939 6508 3456
7 chebi 29341 4039 4401 2798 2246 12424 54128 692 45292 23035 18785 578 11428 23719 1512 9576 1526 23805 53457 15876 3344 20625 19449 1232 20248 28114 9745 15881 5456 3824 204 14514 12054 6377
8 nih_ncc 706 584 293 486 410 459 692 718 694 696 676 149 629 699 494 536 421 693 705 511 145 672 687 45 601 675 579 680 59 591 3 122 479 76
9 zinc 1423705 7494 20459 5615 4866 11152 45292 694 11501705 4562436 577552 582 28040 884859 1522 34049 1799 611742 10569100 5768182 19235 18851 192843 1183 6379888 440755 464184 301300 28490 3625 637 12831 56116 5072
10 emolecules 417102 4130 6356 3411 2383 6369 23035 696 4562436 5010355 208767 586 18265 289877 1434 7721 1649 138009 4865802 4384100 13775 12827 104367 831 4163177 143727 63030 177036 3098 2836 57 4245 18254 2501
11 ibm 246928 6284 9869 4457 4276 8064 18785 676 577552 208767 7464517 544 26213 5758464 1519 10402 1664 1028774 6952951 158377 16642 4218 130372 943 196271 341614 142943 254544 6159 3469 186 5472 31118 3509
12 atlas 603 375 341 298 204 414 578 149 582 586 544 653 508 619 251 359 234 594 643 378 197 341 567 84 517 579 406 555 88 281 5 184 492 149
14 fdasrs 19373 4371 3521 2902 3116 5954 11428 629 28040 18265 26213 508 37409 30810 1393 6283 1534 26740 36608 10132 5181 2484 26631 630 15514 29650 7113 24194 2177 3336 83 3209 8452 1915
15 surechembl 390123 7065 13272 5336 4906 9466 23719 699 884859 289877 5758464 619 30810 15917504 1622 12618 1828 1383805 14632372 236702 18922 5402 158508 1127 277239 454043 224591 312461 7423 3842 479 6874 38982 4270
17 pharmgkb 1542 1478 635 1044 808 950 1512 494 1522 1434 1519 251 1393 1622 1631 1379 741 1560 1623 887 284 988 1523 132 1146 1511 1119 1488 102 1386 5 280 985 200
18 hmdb 7882 2332 2169 1485 1034 4546 9576 536 34049 7721 10402 359 6283 12618 1379 96285 873 12255 96024 4191 2136 1388 10057 1388 6309 16842 3135 8150 9485 1640 193 5320 6360 2863
20 selleck 1809 1223 774 1066 884 734 1526 421 1799 1649 1664 234 1534 1828 741 873 1851 1800 1827 912 262 1166 1346 100 1712 1634 1362 1617 127 971 4 309 1028 209
21 pubchem_tpharma 436158 6623 11238 5334 5109 8904 23805 693 611742 138009 1028774 594 26740 1383805 1560 12255 1800 3471234 3399822 100425 20247 4673 92649 977 120902 781865 209408 144063 6489 3809 310 9298 42349 3573
22 pubchem 1516943 8208 21359 6337 5558 12691 53457 705 10569100 4865802 6952951 643 36608 14632372 1623 96024 1827 3399822 75376297 7931657 41191 20794 356587 1415 6678436 2653733 512192 669021 36707 3859 789 14331 74470 6285
23 mcule 429029 2213 4095 1356 1022 3576 15876 511 5768182 4384100 158377 378 10132 236702 887 4191 912 100425 7931657 31264325 9983 10853 72785 405 5597868 97516 58695 102399 1388 1649 18 2323 11882 1327
24 nmrshiftdb2 7807 819 1462 398 281 1832 3344 145 19235 13775 16642 197 5181 18922 284 2136 262 20247 41191 9983 41722 493 13364 228 12218 24651 2235 15001 596 488 23 1222 4178 812
25 lincs 16371 1642 1120 1741 1091 1395 20625 672 18851 12827 4218 341 2484 5402 988 1388 1166 4673 20794 10853 493 21310 3314 143 12066 4026 6116 3468 311 1440 4 1083 2069 314
26 actor 65229 4523 5668 2991 3939 10201 19449 687 192843 104367 130372 567 26631 158508 1523 10057 1346 92649 356587 72785 13364 3314 361755 1021 87848 163007 16889 221314 4786 3690 135 5822 18400 3333
27 recon 748 479 642 373 108 994 1232 45 1183 831 943 84 630 1127 132 1388 100 977 1415 405 228 143 1021 1434 642 1215 454 781 553 183 12 1097 1104 1034
28 molport 422654 3817 6037 3509 2254 5164 20248 601 6379888 4163177 196271 517 15514 277239 1146 6309 1712 120902 6678436 5597868 12218 12066 87848 642 6966044 119421 60821 144638 2526 2385 45 3684 15532 2058
29 nikkaji 216156 5988 9614 4339 4480 12168 28114 675 440755 143727 341614 579 29650 454043 1511 16842 1634 781865 2653733 97516 24651 4026 163007 1215 119421 2855674 81920 212948 11032 3705 630 10760 32343 4957
31 bindingdb 469496 4150 8022 4367 2458 2990 9745 579 464184 63030 142943 406 7113 224591 1119 3135 1362 209408 512192 58695 2235 6116 16889 454 60821 81920 525211 19400 1099 1717 11 2182 29973 1054
32 comptox 65763 4463 5726 3182 2959 7595 15881 680 301300 177036 254544 555 24194 312461 1488 8150 1617 144063 669021 102399 15001 3468 221314 781 144638 212948 19400 669724 3714 3287 65 4219 16853 2522
33 lipidmaps 3511 396 702 362 198 2218 5456 59 28490 3098 6159 88 2177 7423 102 9485 127 6489 36707 1388 596 311 4786 553 2526 11032 1099 3714 36730 192 222 3384 3108 1926
34 drugcentral 3771 2266 875 1332 1453 1426 3824 591 3625 2836 3469 281 3336 3842 1386 1640 971 3809 3859 1649 488 1440 3690 183 2385 3705 1717 3287 192 3887 6 483 1506 314
35 carotenoiddb 74 14 30 5 4 152 204 3 637 57 186 5 83 479 5 193 4 310 789 18 23 4 135 12 45 630 11 65 222 6 969 80 165 100
36 metabolights 6922 1158 1819 717 424 3939 14514 122 12831 4245 5472 184 3209 6874 280 5320 309 9298 14331 2323 1222 1083 5822 1097 3684 10760 2182 4219 3384 483 80 14516 4927 3438
37 brenda 46117 3689 6445 1963 1485 6508 12054 479 56116 18254 31118 492 8452 38982 985 6360 1028 42349 74470 11882 4178 2069 18400 1104 15532 32343 29973 16853 3108 1506 165 4927 110093 4995
38 rhea 2232 951 1691 507 232 3456 6377 76 5072 2501 3509 149 1915 4270 200 2863 209 3573 6285 1327 812 314 3333 1034 2058 4957 1054 2522 1926 314 100 3438 4995 6377