⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27943632 | 0.79 | — | — | |
| SCHEMBL30589056 | 0.75 | — | — | |
| SCHEMBL28186641 | 0.75 | HCAR3 (0.43) | — | |
| SCHEMBL28301107 | 0.72 | — | — | |
| SCHEMBL7398587 | 0.67 | — | — | |
| SCHEMBL14968770 | 0.61 | — | — | |
| SCHEMBL1007550 | 0.61 | — | — | |
| SCHEMBL28160730 | 0.58 | — | — | |
| SCHEMBL28210342 | 0.58 | — | — | |
| SCHEMBL28858422 | 0.57 | — | — |
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-107954999-B | Oxadiazole ring-containing compound, preparation method, intermediate, composition and application | 上海医药集团股份有限公司 | 2023-01-24 | — | — | CN | disclosed |