⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1929426 | 0.67 | — | — | |
| Acetonitrile SCHEMBL8943263 | 0.63 | — | — | |
| SCHEMBL4662898 | 0.59 | — | — | |
| SCHEMBL9132137 | 0.59 | — | — | |
| SCHEMBL11034945 | 0.56 | — | — | |
| SCHEMBL246294 | 0.56 | — | — | |
| Acetonitrile SCHEMBL2562219 | 0.54 | TSHR (0.36) | — | |
| Acetonitrile SCHEMBL10051948 | 0.54 | — | — | |
| Acetonitrile SCHEMBL1330705 | 0.54 | — | — | |
| Acetonitrile SCHEMBL1331294 | 0.54 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1663241-B1 | 5-ARYLPYRIMIDINES AS ANTICANCER AGENTS | WYETH CORP (US) | 2009-05-27 | — | — | EP | claimed |
| US-7524849-B2 | Antitumor agents to treat multiple drug resistant tumors; promoters of microtubule polymerization; etherification | WYETH HOLDINGS CORPORATION (US) | 2009-04-28 | — | — | US | claimed |
| EP-1663241-A1 | 5-ARYLPYRIMIDINES AS ANTICANCER AGENTS | Wyeth Holdings Corporation (US) | 2006-06-07 | — | — | EP | claimed |
| US-20050075357-A1 | 5-arylpyrimidines as anticancer agents | WYETH (US) | 2005-04-07 | — | — | US | claimed |
| WO-2005030216-A1 | 5-ARYLPYRIMIDINES AS ANTICANCER AGENTS | WYETH HOLDINGS CORPORATION (US) | 2005-04-07 | — | — | WO | claimed |
| EP-1663241-B1 | 5-ARYLPYRIMIDINES AS ANTICANCER AGENTS | WYETH CORP (US) | 2009-05-27 | — | — | EP | disclosed |
| US-7524849-B2 | Antitumor agents to treat multiple drug resistant tumors; promoters of microtubule polymerization; etherification | WYETH HOLDINGS CORPORATION (US) | 2009-04-28 | — | — | US | disclosed |
| EP-1663241-A1 | 5-ARYLPYRIMIDINES AS ANTICANCER AGENTS | Wyeth Holdings Corporation (US) | 2006-06-07 | — | — | EP | disclosed |
| WO-2005030216-A1 | 5-ARYLPYRIMIDINES AS ANTICANCER AGENTS | WYETH HOLDINGS CORPORATION (US) | 2005-04-07 | — | — | WO | disclosed |
| US-20050075357-A1 | 5-arylpyrimidines as anticancer agents | WYETH (US) | 2005-04-07 | — | — | US | disclosed |
| WO-1988004292-A1 | ANTIPSYCHOTIC AMINO-POLYHYDRO-BENZ-(ISO)QUINOLINES AND INTERMEDIATES | THE UPJOHN COMPANY (US) | 1988-06-16 | — | — | WO | disclosed |
| US-4136116-A | ANTIDEPRESSANTS | HOFFMANN-LA ROCHE INC. (US) | 1979-01-23 | — | — | US | disclosed |
| US-3952017-A | 5-HYDROXY-5-(METHYL OR ALKYLMETHYL-AMINOPROPYL)- 5H-DIBENZO(A,D)CYCLOHEPTENES, ANTIDEPRESSANT | HOFFMANN-LA ROCHE INC. (US) | 1976-04-20 | — | — | US | disclosed |