⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24165221 | 0.80 | — | — | |
| SCHEMBL18509918 | 0.74 | — | — | |
| SCHEMBL15576990 | 0.74 | — | — | |
| SCHEMBL18854161 | 0.73 | — | — | |
| SCHEMBL18743006 | 0.73 | — | — | |
| SCHEMBL16234551 | 0.73 | — | — | |
| SCHEMBL19780045 | 0.71 | — | — | |
| SCHEMBL20097435 | 0.70 | — | — | |
| SCHEMBL16488045 | 0.70 | — | — | |
| SCHEMBL23566240 | 0.70 | — | — |
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-11345678-B2 | Benzopyrazole compound used as RHO kinase inhibitor | MEDSHINE DISCOVERY INC. (CN) | 2022-05-31 | — | — | US | disclosed |
| US-20210371393-A1 | BENZOPYRAZOLE COMPOUND USED AS RHO KINASE INHIBITOR | MEDSHINE DISCOVERY INC. (CN) | 2021-12-02 | — | — | US | disclosed |
| WO-2021197467-A1 | MULTI-TARGET ANTI-TUMOR COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | 上海华汇拓医药科技有限公司 | 2021-10-07 | — | — | WO | disclosed |
| EP-3782987-A1 | BENZOPYRAZOLE COMPOUND USED AS RHO KINASE INHIBITOR | Medshine Discovery Inc. (CN) | 2021-02-24 | — | — | EP | disclosed |