⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30671664 | 0.98 | — | — | |
| SCHEMBL29138152 | 0.98 | — | — | |
| SCHEMBL22775980 | 0.96 | — | — | |
| SCHEMBL22551340 | 0.93 | — | — | |
| SCHEMBL30249843 | 0.64 | — | — | |
| SCHEMBL21610416 | 0.63 | KDM4E (0.31) | — | |
| SCHEMBL6264268 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL31635569 | 0.60 | — | — | |
| SCHEMBL22551361 | 0.59 | — | — | |
| SCHEMBL22551377 | 0.59 | — | — |
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-113891882-B | Process for producing dihydroisoxazole | 组合化学工业株式会社 | 2024-11-26 | — | — | CN | disclosed |
| CN-117396464-A | Process for producing aldehyde compound and dihydroisoxazole compound | 组合化学工业株式会社 | 2024-01-12 | — | — | CN | disclosed |