⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3423499 | 0.75 | — | — | |
| SCHEMBL2344838 | 0.75 | — | — | |
| SCHEMBL15063631 | 0.75 | — | — | |
| SCHEMBL161777 | 0.75 | — | — | |
| SCHEMBL27293852 | 0.73 | — | — | |
| SCHEMBL2346201 | 0.71 | — | — | |
| SCHEMBL20490056 | 0.71 | — | — | |
| SCHEMBL5961697 | 0.71 | — | — | |
| SCHEMBL28363476 | 0.71 | TAAR1 (0.42) | — | |
| SCHEMBL28363679 | 0.68 | TSHR (0.34) | — |
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-2897947-B1 | ALKYL, FLUOROALKYL-1,4-BENZODIAZEPINONE COMPOUNDS | BRISTOL MYERS SQUIBB CO (US) | 2016-10-26 | — | — | EP | disclosed |
| US-9242941-B2 | Alkyl, fluoroalkyl-1,4-benzodiazepinone compounds | BRISTOL-MYERS SQUIBB COMPANY (US) | 2016-01-26 | — | — | US | disclosed |
| US-20150239851-A1 | ALKYL, FLUOROALKYL-1,4-BENZODIAZEPINONE COMPOUNDS | BRISTOL-METERS SQUIBB COMPANY (US) | 2015-08-27 | — | — | US | disclosed |