⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21341468 | 0.87 | KCNH2 (0.32) | — | |
| SCHEMBL24630687 | 0.78 | KCNH2 (0.33) | — | |
| SCHEMBL24943834 | 0.75 | KCNH2 (0.30) | — | |
| SCHEMBL21341332 | 0.74 | HSD11B1 (0.36) | — | |
| SCHEMBL24943789 | 0.72 | DHFR (0.37) | — | |
| SCHEMBL24944391 | 0.72 | ALDH1A1 (0.37) | — | |
| SCHEMBL24944392 | 0.70 | CCR9 (0.36) | — | |
| SCHEMBL21341333 | 0.70 | HTR7 (0.30) | — | |
| SCHEMBL24944395 | 0.70 | HSP90AA1 (0.36) | — | |
| SCHEMBL21341469 | 0.69 | HSD11B1 (0.45) | — |
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 |