⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30387480 | 0.85 | — | — | |
| SCHEMBL28929511 | 0.67 | TSHR (0.32) | — | |
| SCHEMBL2156705 | 0.63 | — | — | |
| SCHEMBL28439349 | 0.62 | — | — | |
| Diethylamine SCHEMBL27841769 | 0.62 | TP53 (0.53) | — | |
| Methylethylamine SCHEMBL28604597 | 0.62 | — | — | |
| SCHEMBL20377936 | 0.61 | TP53 (0.31) | — | |
| Propane SCHEMBL28735577 | 0.60 | — | — | |
| SCHEMBL2276680 | 0.60 | — | — | |
| SCHEMBL1897103 | 0.60 | — | — |
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-110191701-B | Composition for enhancing protein strength | 株式会社LG生活健康 | 2023-02-21 | — | — | CN | claimed |