⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1534982 | 0.84 | — | — | |
| SCHEMBL738238 | 0.84 | — | — | |
| SCHEMBL2032829 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL14152640 | 0.81 | DPP4 (0.43) | — | |
| Hydrochloric Acid SCHEMBL1217456 | 0.81 | DPP4 (0.43) | — | |
| Hydrochloric Acid SCHEMBL27147331 | 0.81 | DPP4 (0.43) | — | |
| SCHEMBL2625135 | 0.80 | — | — | |
| SCHEMBL29617109 | 0.77 | — | — | |
| Trifluoroacetic Acid SCHEMBL30154872 | 0.71 | ALDH1A1 (0.38) | — | |
| Trifluoroacetic Acid SCHEMBL4683202 | 0.71 | ALDH1A1 (0.38) | — |
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-114478488-A | Hexahydrobenzene pyrazole cannabinoid receptor 2 agonist and application thereof | 海思科医药集团股份有限公司 | 2022-05-13 | — | — | CN | disclosed |