⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19916797 | 0.77 | — | — | |
| SCHEMBL8089195 | 0.77 | — | — | |
| SCHEMBL32671450 | 0.77 | — | — | |
| SCHEMBL7702027 | 0.75 | APLNR (0.32) | — | |
| SCHEMBL9798220 | 0.74 | — | — | |
| SCHEMBL9798215 | 0.74 | — | — | |
| SCHEMBL22114200 | 0.74 | — | — | |
| SCHEMBL16286075 | 0.74 | NOS3 (0.41) | — | |
| SCHEMBL21649995 | 0.74 | NOS3 (0.41) | — | |
| SCHEMBL21728462 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11192891-B2 | Diazaspiro ROCK inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2021-12-07 | — | — | US | disclosed |
| US-20210188848-A1 | DIAZASPIRO ROCK INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2021-06-24 | — | — | US | disclosed |
| EP-3656769-A1 | ARYL-PHOSPHORUS-OXYGEN COMPOUND AS EGFR KINASE INHIBITOR | Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) | 2020-05-27 | — | — | EP | disclosed |
| EP-3068784-B1 | SUBSTITUTED 4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS CASEIN KINASE 1 D/E INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2019-02-20 | — | — | EP | disclosed |