⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18116750 | 0.78 | — | — | |
| SCHEMBL21646915 | 0.74 | — | — | |
| SCHEMBL20880519 | 0.74 | — | — | |
| SCHEMBL14404313 | 0.72 | — | — | |
| SCHEMBL19525967 | 0.72 | — | — | |
| SCHEMBL14445474 | 0.72 | — | — | |
| SCHEMBL21610531 | 0.67 | — | — | |
| SCHEMBL12595236 | 0.66 | — | — | |
| SCHEMBL24012342 | 0.64 | — | — | |
| SCHEMBL20104837 | 0.63 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007142904-A2 | BENZOXAZOLE AND BENZOTHIAZOLE DERIVATIVES AS 5-HYDROXYTRYTAMINE-6 LIGANDS | WYETH (US) | 2007-12-13 | — | — | WO | disclosed |
| WO-2007120599-A2 | DIHYDRO[1,4]OXAZINO[2,3,4-HI]INDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS | WYETH (US) | 2007-10-25 | — | — | WO | disclosed |
| EP-1648904-B1 | N-SULFONYLHETEROCYCLOPYRROLYLALKYLAMINE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS | WYETH CORP (US) | 2007-08-22 | — | — | EP | disclosed |