⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1702925 | 0.74 | — | — | |
| SCHEMBL8614102 | 0.72 | — | — | |
| SCHEMBL1442396 | 0.70 | — | — | |
| SCHEMBL6661621 | 0.67 | — | — | |
| SCHEMBL31526359 | 0.67 | — | — | |
| Bromide SCHEMBL27304882 | 0.65 | — | — | |
| SCHEMBL26129174 | 0.65 | — | — | |
| SCHEMBL7220266 | 0.64 | ALDH1A1 (0.31) | — | |
| SCHEMBL383561 | 0.64 | — | — | |
| SCHEMBL1219806 | 0.63 | — | — |
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-115023431-B | Triterpene compounds, pharmaceutical compositions thereof and use thereof in the treatment of diseases mediated by member 1 of the nuclear receptor subfamily 4 | 藤济(厦门)生物医药科技有限公司 | 2024-02-02 | — | — | CN | disclosed |