⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7101727 | 0.81 | — | — | |
| SCHEMBL8927850 | 0.78 | — | — | |
| SCHEMBL28076039 | 0.77 | — | — | |
| SCHEMBL27677238 | 0.77 | — | — | |
| SCHEMBL27695854 | 0.77 | — | — | |
| SCHEMBL4473305 | 0.76 | — | — | |
| SCHEMBL3179357 | 0.76 | — | — | |
| SCHEMBL3648196 | 0.74 | — | — | |
| SCHEMBL7632781 | 0.74 | — | — | |
| SCHEMBL1617003 | 0.74 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105980386-B | Pyrazolo compounds and uses thereof | 基因泰克公司 | 2021-08-13 | — | — | CN | claimed |
| CN-105980386-B | Pyrazolo compounds and uses thereof | 基因泰克公司 | 2021-08-13 | — | — | CN | disclosed |
| CN-107405870-A | Layered product, temporary bond composition and temporary bond film | 富士胶片株式会社 | 2017-11-28 | — | — | CN | disclosed |
| US-20030078251-A1 | Benzoxazepinones and their use as squalene synthase inhibitors | TAKEDA CHEMICAL INDUSTRIES LTD. (JP) | 2003-04-24 | — | — | US | disclosed |
| EP-1292585-A1 | BENZOXAZEPINONES AND THEIR USE AS SQUALENE SYNTHASE INHIBITORS | Takeda Chemical Industries, Ltd. (JP) | 2003-03-19 | — | — | EP | disclosed |
| WO-2001098282-A1 | BENZOXAZEPINONES AND THEIR USE AS SQUALENE SYNTHASE INHIBITORS | TAKEDA CHEMICAL INDUSTRIES, LTD (JP) | 2001-12-27 | — | — | WO | disclosed |