⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL611093 | 0.87 | — | — | |
| SCHEMBL5569849 | 0.83 | — | — | |
| SCHEMBL1721038 | 0.75 | — | — | |
| SCHEMBL3655469 | 0.73 | — | — | |
| SCHEMBL9600238 | 0.72 | — | — | |
| SCHEMBL6556320 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL8438325 | 0.71 | — | — | |
| SCHEMBL294330 | 0.67 | — | — | |
| SCHEMBL31093076 | 0.66 | HRH3 (0.31) | — | |
| SCHEMBL6668165 | 0.66 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0505510-A1 | ANTIPSYCHOTIC HEXAHYDRO-2$i(H)-INDENO 1,2-c]PYRIDINE DERIVATIVES | MCNEILAB, INC. (US) | 1992-09-30 | — | — | EP | disclosed |
| US-5075315-A | Dopamine, serotonin antagonists | MCNEILAB, INC. (US) | 1991-12-24 | — | — | US | disclosed |
| US-5075315-A | Dopamine, serotonin antagonists | MCNEILAB, INC. (US) | 1991-12-24 | — | — | US | disclosed |
| US-5075315-A | Dopamine, serotonin antagonists | MCNEILAB, INC. (US) | 1991-12-24 | — | — | US | disclosed |
| WO-1991017992-A1 | ANTIPSYCHOTIC HEXAHYDRO-2H-INDENO[1,2-c]PYRIDINE DERIVATIVES | MCNEILAB INC. (US) | 1991-11-28 | — | — | WO | disclosed |