⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9911578 | 0.82 | — | — | |
| SCHEMBL2671914 | 0.82 | — | — | |
| SCHEMBL279294 | 0.82 | — | — | |
| SCHEMBL9477308 | 0.75 | ALDH1A1 (0.33) | — | |
| SCHEMBL9477319 | 0.75 | ALDH1A1 (0.33) | — | |
| SCHEMBL28437322 | 0.72 | ALDH1A1 (0.41) | — | |
| SCHEMBL15286796 | 0.69 | TSHR (0.64) | — | |
| SCHEMBL13821649 | 0.69 | — | — | |
| SCHEMBL5708684 | 0.69 | — | — | |
| SCHEMBL819289 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-117285415-A | Cis-2-alkene-1, 4-diketone derivative and synthetic method thereof | 浙江师范大学 | 2023-12-26 | — | — | CN | disclosed |