⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL294330 | 0.85 | — | — | |
| SCHEMBL29114759 | 0.81 | — | — | |
| SCHEMBL34467252 | 0.71 | — | — | |
| SCHEMBL4791875 | 0.66 | — | — | |
| SCHEMBL4065489 | 0.65 | — | — | |
| SCHEMBL30838391 | 0.63 | — | — | |
| SCHEMBL7831061 | 0.63 | — | — | |
| SCHEMBL6935379 | 0.61 | — | — | |
| SCHEMBL6757994 | 0.61 | — | — | |
| SCHEMBL7383347 | 0.59 | DRD2 (0.31) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20030225058-A1 | Substituted azepino[4,5b]indoline derivatives | PHARMACIA & UPJOHN COMPANY | 2003-12-04 | — | — | US | claimed |
| EP-1351961-A1 | SUBSTITUTED INDOLINES AS 5-HT RECEPTOR LIGANDS | PHARMACIA & UPJOHN COMPANY (US) | 2003-10-15 | — | — | EP | claimed |
| WO-2002060903-A1 | SUBSTITUTED INDOLINES AS 5-HT RECEPTOR LIGANDS | PHARMACIA & UPJOHN COMPANY (US) | 2002-08-08 | — | — | WO | claimed |
| US-20030220321-A1 | Substituted azepino[4,5b]indole derivatives | PHARMACIA & UPJOHN COMPANY | 2003-11-27 | — | — | US | disclosed |
| EP-1351961-A1 | SUBSTITUTED INDOLINES AS 5-HT RECEPTOR LIGANDS | PHARMACIA & UPJOHN COMPANY (US) | 2003-10-15 | — | — | EP | disclosed |
| WO-2002060903-A1 | SUBSTITUTED INDOLINES AS 5-HT RECEPTOR LIGANDS | PHARMACIA & UPJOHN COMPANY (US) | 2002-08-08 | — | — | WO | disclosed |