⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24944145 | 0.77 | EIF4A3 (0.33) | — | |
| SCHEMBL24630673 | 0.72 | — | — | |
| SCHEMBL21341470 | 0.61 | HDAC10 (0.39) | — | |
| SCHEMBL31265044 | 0.60 | PGR (0.43) | — | |
| SCHEMBL21341402 | 0.59 | CFTR (0.37) | — | |
| SCHEMBL21341404 | 0.59 | KDM4E (0.30) | — | |
| SCHEMBL24944146 | 0.59 | — | — | |
| SCHEMBL12755272 | 0.58 | CDK4 (0.31) | — | |
| SCHEMBL24148517 | 0.57 | — | — | |
| SCHEMBL24630643 | 0.57 | CASR (0.38) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11130749-B2 | — | — | 2021-09-28 | — | — | US | disclosed |
| US-20190276440-A1 | RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF | BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) | 2019-09-12 | — | — | US | disclosed |