⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13034847 | 0.79 | — | — | |
| SCHEMBL27831991 | 0.76 | — | — | |
| SCHEMBL6545978 | 0.73 | — | — | |
| SCHEMBL27832083 | 0.73 | — | — | |
| SCHEMBL28807937 | 0.73 | — | — | |
| SCHEMBL9139324 | 0.72 | — | — | |
| SCHEMBL25463415 | 0.72 | CYP3A4 (0.31) | — | |
| SCHEMBL27940979 | 0.71 | HMGCR (0.33) | — | |
| SCHEMBL1198712 | 0.68 | CDK1 (0.32) | — | |
| SCHEMBL27941027 | 0.68 | HMGCR (0.33) | — |
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 |