⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21341404 | 0.79 | KDM4E (0.30) | — | |
| SCHEMBL12755272 | 0.68 | CDK4 (0.31) | — | |
| SCHEMBL21341402 | 0.67 | CFTR (0.37) | — | |
| SCHEMBL24630648 | 0.67 | EIF4A3 (0.31) | — | |
| SCHEMBL22502897 | 0.65 | ALKBH5 (0.38) | — | |
| SCHEMBL10212114 | 0.64 | CA2 (0.39) | — | |
| SCHEMBL22502916 | 0.64 | DHFR (0.31) | — | |
| SCHEMBL12279473 | 0.62 | CDK4 (0.36) | — | |
| SCHEMBL21024142 | 0.62 | PIK3CD (0.39) | — | |
| SCHEMBL22502923 | 0.62 | DYRK1A (0.37) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230030115-A1 | RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF | BEIJING TIDE PHARMACEUTICAL CO LTD (CN) | 2023-02-02 | — | — | US | disclosed |