On Target PA_INFA 0.07317073/CHEMBL2040602
For the given ligand aspirine, we have found in our database that, being scored 0.07317073, the most similar ligand is CHEMBL2040602. Check out the elaboration below.
| aspirine (Given Ligand) | CHEMBL2040602 (Similar Ligand) |
|---|---|
| ON1C/[O+]=I\C1 | COc1ccc(/C=C2\N=C(CC(C)C)C(=O)N(O)C2=O)cc1 |
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| 00404000 00000015 00000000 00000000 00000000 00000000 00000000 00001000 00000200 00000080 00200000 00010000 00000004 02000000 00000000 00100018 00000000 00000000 00000000 00005002 00000000 00000020 00000000 04000010 00000000 00000000 00000000 00140000 00000000 00440000 00200001 00000000 | 00412002 0100b018 60304108 00190e08 00029002 04000200 96140080 20a20410 03800002 22410cc1 00230000 4001b000 0410a006 08010002 03000003 00000018 e0000c00 52004300 00018002 11ce0209 00020001 38040600 80020001 06500818 02000080 80000000 404a2000 54050104 08400200 00068005 1c000000 02000200 |