⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22551386 | 1.00 | — | — | |
| SCHEMBL19055097 | 0.75 | — | — | |
| SCHEMBL21167227 | 0.72 | — | — | |
| SCHEMBL19087142 | 0.72 | — | — | |
| SCHEMBL18237300 | 0.72 | — | — | |
| SCHEMBL24521700 | 0.72 | — | — | |
| SCHEMBL27347065 | 0.72 | — | — | |
| SCHEMBL15067911 | 0.69 | — | — | |
| SCHEMBL15067909 | 0.69 | — | — | |
| SCHEMBL22551329 | 0.69 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111491926-B | Novel method for producing 5, 5-disubstituted-4, 5-dihydroisoxazole | 组合化学工业株式会社 | 2022-07-15 | — | — | CN | disclosed |
| EP-3725782-B1 | NOVEL METHOD FOR PRODUCING 5,5-DISUBSTITUTED-4,5-DIHYDROISOXAZOLE | KUMIAI CHEMICAL INDUSTRY CO (JP) | 2022-06-22 | — | — | EP | disclosed |
| US-10975041-B2 | Method for producing 5, 5-disubstituted-4, 5-dihydroisoxazole | KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) | 2021-04-13 | — | — | US | disclosed |
| US-20210047280-A1 | NOVEL METHOD FOR PRODUCING 5, 5-DISUBSTITUTED-4, 5-DIHYDROISOXAZOLE | KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) | 2021-02-18 | — | — | US | disclosed |
| EP-3725782-A1 | NOVEL METHOD FOR PRODUCING 5,5-DISUBSTITUTED-4,5-DIHYDROISOXAZOLE | Kumiai Chemical Industry Co., Ltd. (JP) | 2020-10-21 | — | — | EP | disclosed |
| CN-111491926-A | Novel method for producing 5, 5-disubstituted-4, 5-dihydroisoxazoles | 组合化学工业株式会社 | 2020-08-04 | — | — | CN | disclosed |