⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1058222 | 0.81 | — | — | |
| SCHEMBL1052297 | 0.72 | CYP2D6 (0.32) | — | |
| SCHEMBL10915683 | 0.68 | ALDH1A1 (0.38) | — | |
| SCHEMBL1054578 | 0.68 | ERBB2 (0.36) | — | |
| SCHEMBL10779523 | 0.68 | — | — | |
| SCHEMBL1055386 | 0.67 | L3MBTL1 (0.37) | — | |
| SCHEMBL12345221 | 0.67 | PARP1 (0.39) | — | |
| SCHEMBL11554562 | 0.66 | DPP4 (0.34) | — | |
| SCHEMBL8724856 | 0.66 | — | — | |
| SCHEMBL1465286 | 0.65 | CYP3A4 (0.39) | — |
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-0004794-B1 | SUBSTITUTED BENZAZEPINES, PROCESSES FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | SMITHKLINE BECKMAN CORPORATION (US) | 1982-04-28 | — | — | EP | disclosed |
| EP-0004794-A2 | Substituted benzazepines, processes for preparing them and pharmaceutical compositions containing them | SMITHKLINE BECKMAN CORPORATION (US) | 1979-10-17 | — | — | EP | disclosed |
| US-4171359-A | DOPAMINERGIC ACTIVITY | SMITHKLINE CORPORATION (US) | 1979-10-16 | — | — | US | disclosed |