⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4866503 | 1.00 | — | — | |
| SCHEMBL19887992 | 0.79 | — | — | |
| SCHEMBL1783135 | 0.79 | — | — | |
| SCHEMBL1783136 | 0.79 | — | — | |
| SCHEMBL5843527 | 0.73 | — | — | |
| SCHEMBL17468794 | 0.73 | — | — | |
| SCHEMBL22322524 | 0.73 | — | — | |
| SCHEMBL5843517 | 0.73 | — | — | |
| SCHEMBL25418241 | 0.73 | — | — | |
| SCHEMBL1784051 | 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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4021411-A | Production of high molecular weight α,β-unsaturated aldehydes | BADISCHE ANILIN- & SODA-FABRIK AKTIENGESELLSCHAFT (DT) | 1977-05-03 | — | — | US | claimed |
| 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 |
| EP-3476478-B1 | METHOD FOR REMOVING A SULFUR-CONTAINING COMPOUND | KURARAY CO (JP) | 2023-04-26 | — | — | EP | 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-11291947-B2 | Composition for removing sulfur-containing compound | KURARAY CO., LTD. (JP) | 2022-04-05 | — | — | US | 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 |
| US-7655699-B1 | Compounds having selective activity for retinoid X receptors, and means for modulation of processes mediated by retinoid X receptors | EISAI INC. (US) | 2010-02-02 | — | — | US | disclosed |
| US-20090030216-A1 | ORGANIC SALTS AND METHOD FOR PRODUCING CHIRAL ORGANIC COMPOUNDS | STUDIENGESELLSCHAFT KOHLE MBH (DE) | 2009-01-29 | — | — | US | disclosed |
| US-20090030216-A1 | ORGANIC SALTS AND METHOD FOR PRODUCING CHIRAL ORGANIC COMPOUNDS | STUDIENGESELLSCHAFT KOHLE MBH (DE) | 2009-01-29 | — | — | US | disclosed |
| US-20080125310-A1 | Hydride reduction of alpha, beta-unsaturated carbonyl compounds using chiral organic catalysts | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2008-05-29 | — | — | US | disclosed |
| US-7323604-B2 | Hydride reduction of α,β-unsaturated carbonyl compounds using chiral organic catalysts | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2008-01-29 | — | — | US | disclosed |
| WO-2007098741-A2 | ORGANIC SALTS AND METHOD FOR PRODUCING CHIRAL ORGANIC COMPOUNDS | STUDIENGESELLSCHAFT KOHLE MBH (DE) | 2007-09-07 | — | — | WO | disclosed |
| US-20060161024-A1 | Hydride reduction of alpha, beta-unsaturated carbonyl compounds using chiral organic catalysts | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2006-07-20 | — | — | US | disclosed |
| US-4058536-A | Production of high molecular weight α,β-unsaturated aldehydes | BASF AKTIENGESELLSCHAFT (DT) | 1977-11-15 | — | — | US | disclosed |
| US-4021411-A | Production of high molecular weight α,β-unsaturated aldehydes | BADISCHE ANILIN- & SODA-FABRIK AKTIENGESELLSCHAFT (DT) | 1977-05-03 | — | — | US | disclosed |
| US-3965193-A | Production of high molecular weight α,β-unsaturated aldehydes | BADISCHE ANILIN- & SODA-FABRIK AKTIENGESELLSCHAFT (DT) | 1976-06-22 | — | — | US | disclosed |