⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8846719 | 1.00 | — | — | |
| SCHEMBL18556369 | 0.81 | HSD17B10 (0.41) | — | |
| SCHEMBL28582023 | 0.79 | ALDH1A1 (0.67) | — | |
| SCHEMBL12920079 | 0.75 | HSD17B10 (0.37) | — | |
| SCHEMBL808905 | 0.73 | — | — | |
| SCHEMBL15604381 | 0.73 | — | — | |
| SCHEMBL258775 | 0.73 | — | — | |
| SCHEMBL283091 | 0.73 | — | — | |
| SCHEMBL9735105 | 0.73 | — | — | |
| SCHEMBL808906 | 0.73 | — | — |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112004805-B | Process for producing 5, 5-disubstituted-4, 5-dihydroisoxazoles | 组合化学工业株式会社 | 2024-06-14 | — | — | CN | disclosed |
| US-11753384-B2 | Production method for 5,5-di-substituted-4,5-dihydroisoxazole | KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) | 2023-09-12 | — | — | US | disclosed |
| EP-3789382-B1 | PRODUCTION METHOD FOR 5,5-DI-SUBSTITUTED-4,5-DIHYDROISOXAZOLE | KUMIAI CHEMICAL INDUSTRY CO (JP) | 2023-07-05 | — | — | EP | disclosed |
| 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-20210238150-A1 | PRODUCTION METHOD FOR 5,5-DI-SUBSTITUTED-4,5-DIHYDROISOXAZOLE | KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) | 2021-08-05 | — | — | US | disclosed |
| US-10975041-B2 | Method for producing 5, 5-disubstituted-4, 5-dihydroisoxazole | KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) | 2021-04-13 | — | — | US | disclosed |
| EP-3789382-A1 | PRODUCTION METHOD FOR 5,5-DI-SUBSTITUTED-4,5-DIHYDROISOXAZOLE | Kumiai Chemical Industry Co., Ltd. (JP) | 2021-03-10 | — | — | EP | 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 |
| CN-112004805-A | Process for producing 5, 5-disubstituted-4, 5-dihydroisoxazoles | 组合化学工业株式会社 | 2020-11-27 | — | — | CN | 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 |
| EP-0234496-B2 | Process for preparing alpha, beta-unsaturated aldehydes | KURARAY CO (JP) | 1997-07-23 | — | — | EP | disclosed |
| US-4503239-A | Process for the preparation of ethylenic halogenoacetals | RHONE-POULENC SANTE (FR) | 1985-03-05 | — | — | US | disclosed |
| EP-0019112-B1 | PROCESS FOR THE PREPARATION OF CYCLIC ACETALS OF TRANS-4-CHLORO-3-METHYL-2-BUTEN-1-AL AND PREPARATION OF TRANS-3-METHYL-2-BUTEN-1,4-DIAL-MONOACETALS | BASF Aktiengesellschaft (DE) | 1982-11-17 | — | — | EP | disclosed |
| US-4335047-A | Preparation of cyclic acetals of trans-4-chloro-3-methyl-but-2-en-1-al, and preparation of trans-3-methyl-but-2-ene-1,4-dial-1-monoacetals | BASF AKTIENGESELLSCHAFT (DE) | 1982-06-15 | — | — | US | disclosed |
| US-4335047-A | Preparation of cyclic acetals of trans-4-chloro-3-methyl-but-2-en-1-al, and preparation of trans-3-methyl-but-2-ene-1,4-dial-1-monoacetals | BASF AKTIENGESELLSCHAFT (DE) | 1982-06-15 | — | — | US | disclosed |
| US-4335047-A | Preparation of cyclic acetals of trans-4-chloro-3-methyl-but-2-en-1-al, and preparation of trans-3-methyl-but-2-ene-1,4-dial-1-monoacetals | BASF AKTIENGESELLSCHAFT (DE) | 1982-06-15 | — | — | US | disclosed |
| EP-0019112-A1 | Process for the preparation of cyclic acetals of trans-4-chloro-3-methyl-2-buten-1-al and preparation of trans-3-methyl-2-buten-1,4-dial-monoacetals | BASF Aktiengesellschaft (DE) | 1980-11-26 | — | — | EP | disclosed |