⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12744319 | 0.72 | — | — | |
| SCHEMBL12299849 | 0.70 | KDM5A (0.30) | — | |
| SCHEMBL17731982 | 0.68 | — | — | |
| SCHEMBL12293883 | 0.65 | — | — | |
| SCHEMBL21964021 | 0.64 | — | — | |
| SCHEMBL20871130 | 0.61 | — | — | |
| SCHEMBL22018298 | 0.61 | CRBN (0.32) | — | |
| SCHEMBL3711561 | 0.61 | MAPT (0.31) | — | |
| SCHEMBL23782625 | 0.60 | — | — | |
| SCHEMBL22911700 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116410151-B | 3- (5, 5-Dimethyl-4, 5-dihydro-isoxazol-3-yl) propionate and synthetic method and application thereof | 山东润博生物科技有限公司 | 2024-12-10 | — | — | CN | disclosed |
| CN-116410151-A | 3- (5, 5-dimethyl-4, 5-dihydroxyisoxazol-3-yl) propionate and synthetic method and application thereof | 山东润博生物科技有限公司 | 2023-07-11 | — | — | CN | disclosed |