⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25582860 | 1.00 | — | — | |
| SCHEMBL25575438 | 1.00 | — | — | |
| SCHEMBL25575435 | 1.00 | — | — | |
| SCHEMBL8324578 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL8327862 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL8327858 | 0.97 | — | — | |
| SCHEMBL2879986 | 0.86 | TRPM8 (0.33) | — | |
| SCHEMBL29348145 | 0.86 | TRPM8 (0.33) | — | |
| SCHEMBL22011092 | 0.84 | ADH1C (0.34) | — | |
| SCHEMBL4575110 | 0.82 | TDP1 (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 |
|---|---|---|---|---|---|---|---|
| WO-2023098730-A1 | COMPOUND CONTAINING CYCLOALKYL OR HALOALKYL | 正大天晴药业集团股份有限公司 | 2023-06-08 | — | — | WO | disclosed |