⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4251564 | 0.73 | — | — | |
| SCHEMBL20255231 | 0.73 | ALDH1A1 (0.52) | — | |
| SCHEMBL540867 | 0.71 | — | — | |
| SCHEMBL1198471 | 0.71 | — | — | |
| SCHEMBL368556 | 0.71 | — | — | |
| SCHEMBL1515482 | 0.71 | — | — | |
| SCHEMBL31240203 | 0.71 | — | — | |
| SCHEMBL14336338 | 0.71 | ALDH1A1 (0.54) | — | |
| SCHEMBL18291269 | 0.70 | ALDH1A1 (0.39) | — | |
| Hydrochloric Acid SCHEMBL14994263 | 0.70 | KCNQ3 (0.44) | — |
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-2019154329-A1 | COMPOUND HAVING BET INHIBITORY ACTIVITY AND PREPARATION METHOD AND USE THEREFOR | 上海海和药物研究开发有限公司 | 2019-08-15 | — | — | WO | disclosed |