⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6989871 | 0.96 | — | — | |
| SCHEMBL6989876 | 0.96 | — | — | |
| SCHEMBL9038921 | 0.95 | — | — | |
| SCHEMBL7948424 | 0.87 | AOC3 (0.30) | — | |
| SCHEMBL9038657 | 0.87 | — | — | |
| SCHEMBL7948427 | 0.87 | AOC3 (0.30) | — | |
| SCHEMBL9039317 | 0.84 | — | — | |
| SCHEMBL9039600 | 0.84 | HTT (0.31) | — | |
| SCHEMBL9041444 | 0.83 | PTPN1 (0.35) | — | |
| SCHEMBL9040156 | 0.83 | GRM5 (0.32) | — |
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-0441349-B1 | Pyrroloazepine derivatives | SUNTORY LTD (JP) | 1996-01-03 | — | — | EP | disclosed |
| US-5416082-A | Antiserotonine agents | SUNTORY LIMITED (JP) | 1995-05-16 | — | — | US | disclosed |
| US-5391731-A | Useful therapeutics for circulatory diseases | SUNTORY LIMITED (JP) | 1995-02-21 | — | — | US | disclosed |
| US-5206239-A | Cardiovascular disorders | SUNTORY LIMITED (JP) | 1993-04-27 | — | — | US | disclosed |
| EP-0441349-A1 | Pyrroloazepine derivatives | SUNTORY LIMITED (JP) | 1991-08-14 | — | — | EP | disclosed |