⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21984248 | 0.65 | — | — | |
| SCHEMBL5597259 | 0.65 | ALDH1A1 (0.33) | — | |
| SCHEMBL20612391 | 0.64 | — | — | |
| SCHEMBL21976285 | 0.62 | — | — | |
| SCHEMBL11066451 | 0.62 | — | — | |
| SCHEMBL21983775 | 0.57 | — | — | |
| SCHEMBL21374674 | 0.55 | — | — | |
| SCHEMBL14285821 | 0.55 | CHRM2 (0.33) | — | |
| SCHEMBL19417741 | 0.54 | — | — | |
| SCHEMBL14896613 | 0.52 | ALDH1A1 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019001572-A1 | RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF | 北京泰德制药股份有限公司 | 2019-01-03 | — | — | WO | disclosed |