⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31555683 | 0.78 | ALDH1A1 (0.33) | — | |
| SCHEMBL2379199 | 0.71 | GRM5 (0.36) | — | |
| SCHEMBL15266297 | 0.69 | CCNB2 (0.31) | — | |
| SCHEMBL3783755 | 0.68 | HSD11B1 (0.31) | — | |
| SCHEMBL22795798 | 0.67 | NOS3 (0.32) | — | |
| SCHEMBL29457243 | 0.67 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL29172743 | 0.65 | ALDH1A1 (0.31) | — | |
| SCHEMBL30961353 | 0.64 | — | — | |
| SCHEMBL31730915 | 0.64 | TBXAS1 (0.31) | — | |
| SCHEMBL9854177 | 0.62 | HRH3 (0.43) | — |
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-2017133701-A1 | CERTAIN PROTEIN KINASE INHIBITORS | SHANGHAI FOCHON PHARMACEUTICAL CO., LTD. (CN) | 2017-08-10 | — | — | WO | disclosed |