⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31621313 | 0.89 | — | — | |
| SCHEMBL31621314 | 0.81 | — | — | |
| SCHEMBL21644293 | 0.78 | — | — | |
| SCHEMBL22593017 | 0.74 | USP2 (0.32) | — | |
| SCHEMBL25777603 | 0.74 | — | — | |
| SCHEMBL19415630 | 0.72 | — | — | |
| SCHEMBL17058144 | 0.71 | — | — | |
| SCHEMBL11969963 | 0.70 | — | — | |
| SCHEMBL25616945 | 0.69 | ALDH1A1 (0.30) | — | |
| SCHEMBL12960406 | 0.68 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024204554-A1 | SPIROCYCLIC MORPHINAN DERIVATIVE | 日本ケミファ株式会社 | 2024-10-03 | — | — | WO | disclosed |
| EP-2897942-B1 | FLUOROALKYL AND FLUOROCYCLOALKYL 1,4-BENZODIAZEPINONE COMPOUNDS AS NOTCH INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2016-08-31 | — | — | EP | disclosed |
| EP-2897942-B1 | FLUOROALKYL AND FLUOROCYCLOALKYL 1,4-BENZODIAZEPINONE COMPOUNDS AS NOTCH INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2016-08-31 | — | — | EP | disclosed |
| US-9427442-B2 | Fluoroalkyl and fluorocycloalkyl 1,4-benzodiazepinone compounds | BRISTOL-MYERS SQUIBB COMPANY (US) | 2016-08-30 | — | — | US | disclosed |
| US-9427442-B2 | Fluoroalkyl and fluorocycloalkyl 1,4-benzodiazepinone compounds | BRISTOL-MYERS SQUIBB COMPANY (US) | 2016-08-30 | — | — | US | disclosed |
| US-9427442-B2 | Fluoroalkyl and fluorocycloalkyl 1,4-benzodiazepinone compounds | BRISTOL-MYERS SQUIBB COMPANY (US) | 2016-08-30 | — | — | US | disclosed |
| US-20150231152-A1 | FLUOROALKYL AND FLUOROCYCLOALKYL 1,4-BENZODIAZEPINONE COMPOUNDS | BRISTOL-MYERS SQUIBB COMPANY | 2015-08-20 | — | — | US | disclosed |
| US-20150231152-A1 | FLUOROALKYL AND FLUOROCYCLOALKYL 1,4-BENZODIAZEPINONE COMPOUNDS | BRISTOL-MYERS SQUIBB COMPANY | 2015-08-20 | — | — | US | disclosed |
| US-20150231152-A1 | FLUOROALKYL AND FLUOROCYCLOALKYL 1,4-BENZODIAZEPINONE COMPOUNDS | BRISTOL-MYERS SQUIBB COMPANY | 2015-08-20 | — | — | US | disclosed |
| EP-2897942-A1 | FLUOROALKYL AND FLUOROCYCLOALKYL 1,4-BENZODIAZEPINONE COMPOUNDS AS NOTCH!INHIBITORS | Bristol-Myers Squibb Company (US) | 2015-07-29 | — | — | EP | disclosed |
| WO-2014047397-A1 | FLUOROALKYL AND FLUOROCYCLOALKYL 1,4-BENZODIAZEPINONE COMPOUNDS AS NOTCH|INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-03-27 | — | — | WO | disclosed |
| WO-2014047397-A1 | FLUOROALKYL AND FLUOROCYCLOALKYL 1,4-BENZODIAZEPINONE COMPOUNDS AS NOTCH|INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-03-27 | — | — | WO | disclosed |
| WO-2011070541-A1 | CYSTEINE PROTEASE INHIBITORS | MEDIVIR UK LIMITED (GB) | 2011-06-16 | — | — | WO | disclosed |