⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL135839 | 0.96 | — | — | |
| SCHEMBL6244855 | 0.96 | — | — | |
| SCHEMBL27600271 | 0.92 | — | — | |
| SCHEMBL27676867 | 0.92 | — | — | |
| SCHEMBL27802096 | 0.92 | — | — | |
| Methane SCHEMBL1676856 | 0.92 | — | — | |
| SCHEMBL27501951 | 0.92 | — | — | |
| SCHEMBL27554077 | 0.92 | — | — | |
| Ethane SCHEMBL177534 | 0.92 | — | — | |
| Acetic Acid SCHEMBL8054479 | 0.88 | FFAR3 (0.54) | — |
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-102164942-B | Triterpenoid compounds and methods of use thereof | 生物科技研究有限公司 | 2017-02-15 | — | — | CN | disclosed |