⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1184894 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL31174165 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL28023794 | 0.76 | — | — | |
| SCHEMBL7487140 | 0.75 | — | — | |
| SCHEMBL262103 | 0.74 | — | — | |
| SCHEMBL6341539 | 0.74 | — | — | |
| SCHEMBL3589631 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL31174160 | 0.74 | — | — | |
| SCHEMBL2220704 | 0.74 | — | — | |
| Bromide SCHEMBL29198604 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104470905-B | The miscellaneous azepine * assimilation compounds of substitution | 霍夫曼-拉罗奇有限公司 | 2017-09-12 | — | — | CN | disclosed |
| EP-2882725-A1 | SUBSTITUTED HETERO-AZEPINONES | F. Hoffmann-La Roche AG (CH) | 2015-06-17 | — | — | EP | disclosed |
| WO-2014023708-A1 | SUBSTITUTED HETERO-AZEPINONES | F. HOFFMANN-LA ROCHE AG (CH) | 2014-02-13 | — | — | WO | disclosed |