⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12961284 | 1.00 | — | — | |
| SCHEMBL12826234 | 0.73 | — | — | |
| SCHEMBL20057566 | 0.73 | — | — | |
| SCHEMBL21779739 | 0.73 | — | — | |
| SCHEMBL762400 | 0.72 | — | — | |
| SCHEMBL684683 | 0.72 | — | — | |
| SCHEMBL18615907 | 0.69 | — | — | |
| SCHEMBL24977102 | 0.68 | KDM4E (0.33) | — | |
| SCHEMBL6262421 | 0.67 | — | — | |
| SCHEMBL6839430 | 0.67 | — | — |
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-2021160132-A1 | HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF | 上海美悦生物科技发展有限公司 | 2021-08-19 | — | — | WO | disclosed |