⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29085465 | 0.73 | — | — | |
| SCHEMBL28931351 | 0.70 | — | — | |
| SCHEMBL14420972 | 0.67 | — | — | |
| SCHEMBL12191604 | 0.67 | — | — | |
| SCHEMBL27990993 | 0.67 | — | — | |
| SCHEMBL12191605 | 0.67 | — | — | |
| SCHEMBL10526801 | 0.65 | — | — | |
| SCHEMBL22011017 | 0.64 | — | — | |
| SCHEMBL3466853 | 0.64 | — | — | |
| SCHEMBL271045 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9273075-B2 | Prodrugs of 1,4-benzodiazepinone compounds | BRISTOL-MYERS SQUIBB COMPANY (US) | 2016-03-01 | — | — | US | disclosed |
| US-9242941-B2 | Alkyl, fluoroalkyl-1,4-benzodiazepinone compounds | BRISTOL-MYERS SQUIBB COMPANY (US) | 2016-01-26 | — | — | US | disclosed |
| US-20150232491-A1 | PRODRUGS OF 1,4-BENZODIAZEPINONE COMPOUNDS | BRISTOL-MYERS SQUIBB COMPANY | 2015-08-20 | — | — | US | disclosed |