⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6989876 | 1.00 | — | — | |
| SCHEMBL9038921 | 0.99 | — | — | |
| SCHEMBL9039276 | 0.96 | — | — | |
| SCHEMBL7948424 | 0.91 | AOC3 (0.30) | — | |
| SCHEMBL7948427 | 0.91 | AOC3 (0.30) | — | |
| SCHEMBL9038657 | 0.88 | — | — | |
| SCHEMBL9039600 | 0.87 | HTT (0.31) | — | |
| SCHEMBL9039317 | 0.87 | — | — | |
| SCHEMBL9040156 | 0.86 | GRM5 (0.32) | — | |
| SCHEMBL9038628 | 0.86 | MEN1 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0551527-B1 | PYRROLOAZEPINE DERIVATIVE | SUNTORY LTD (JP) | 2003-04-02 | — | — | EP | disclosed |
| US-5397780-A | Antiserotonine, hypotensive, congestive heart failure | SUNTORY LIMITED (JP) | 1995-03-14 | — | — | US | disclosed |
| EP-0551527-A1 | PYRROLOAZEPINE DERIVATIVE | SUNTORY LIMITED (JP) | 1993-07-21 | — | — | EP | disclosed |