⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1783968 | 1.00 | — | — | |
| SCHEMBL6925729 | 1.00 | — | — | |
| SCHEMBL12845021 | 0.80 | ALDH1A1 (0.33) | — | |
| SCHEMBL19055097 | 0.79 | — | — | |
| SCHEMBL11452438 | 0.75 | — | — | |
| SCHEMBL9609508 | 0.75 | — | — | |
| SCHEMBL10526392 | 0.75 | — | — | |
| SCHEMBL10526397 | 0.75 | — | — | |
| SCHEMBL1785939 | 0.75 | — | — | |
| SCHEMBL1785941 | 0.75 | — | — |
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 31 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-8632792-B2 | Cooling sensation agent composition and sensory stimulation agent composition | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2014-01-21 | — | — | US | disclosed |
| US-20110117147-A1 | COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2011-05-19 | — | — | US | disclosed |
| WO-2009123355-A2 | COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2009-10-08 | — | — | WO | disclosed |
| EP-0705812-B1 | Method for producing cyclopentadienes | NIPPON PETROCHEMICALS CO LTD (JP) | 1998-12-16 | — | — | EP | disclosed |
| US-5723708-A | REACTING ALDEHYDES AND KETONES ON THE PRESENCE OF ACID CATALYSTS OR BASIC CATALYSTS FOR ALDOL REACTION AND CYCLODEHYDRATION | NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) | 1998-03-03 | — | — | US | disclosed |
| EP-0705812-A1 | Method for producing cyclopentadienes | NIPPON PETROCHEMICALS CO., LTD. (JP) | 1996-04-10 | — | — | EP | disclosed |
| US-5312996-A | Reacting butadiene with hydrogen and carbon monoxide using a rhodium-phosphite complex catalyst | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1994-05-17 | — | — | 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 |