⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25070194 | 0.78 | CYP2C9 (0.31) | — | |
| SCHEMBL23264176 | 0.78 | — | — | |
| SCHEMBL30307497 | 0.73 | — | — | |
| SCHEMBL18409446 | 0.73 | — | — | |
| SCHEMBL23229268 | 0.69 | — | — | |
| SCHEMBL18570504 | 0.69 | — | — | |
| SCHEMBL18011732 | 0.69 | — | — | |
| SCHEMBL148424 | 0.67 | — | — | |
| SCHEMBL21184103 | 0.65 | — | — | |
| SCHEMBL264678 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3889154-A1 | HETEROCYCLIC COMPOUND INTERMEDIATE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | Wuhan LL Science And Technology Development Co., Ltd. (CN) | 2021-10-06 | — | — | EP | disclosed |