⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL30801394 | 0.97 | NOTUM (0.32) | — | |
| SCHEMBL9814075 | 0.84 | — | — | |
| SCHEMBL6230488 | 0.76 | — | — | |
| SCHEMBL17321300 | 0.72 | TSHR (0.41) | — | |
| SCHEMBL29899196 | 0.72 | — | — | |
| SCHEMBL4202227 | 0.67 | NPC1 (0.30) | — | |
| SCHEMBL20271630 | 0.67 | ALDH1A1 (0.35) | — | |
| SCHEMBL31292483 | 0.66 | TAAR1 (0.35) | — | |
| SCHEMBL20119350 | 0.66 | CYP1A2 (0.34) | — | |
| SCHEMBL14125002 | 0.63 | NOTUM (0.56) | — |
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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111087355-B | Synthetic method of 5-trifluoromethyl-isoxazole compound | 福州大学 | 2023-04-04 | — | — | CN | claimed |
| CN-111087355-A | Synthetic method of 5-trifluoromethyl-isoxazole compound | 福州大学 | 2020-05-01 | — | — | CN | claimed |
| CN-106660994-A | Phosphatidylinositol 3-kinase inhibitors | 吉利德科学公司 | 2017-05-10 | — | — | CN | claimed |
| EP-0270963-B1 | FLUOR-CONTAINING 5-TRIHALOGEN METHYL ISOXAZOLES, AND METHOD FOR THEIR PREPARATION | BAYER AG (DE) | 1991-08-07 | — | — | EP | claimed |
| US-4888430-A | CHEMICAL INTERMEDIATES | BAYER AKTIENGESELLSCHAFT (DE) | 1989-12-19 | — | — | US | claimed |
| EP-0270963-A1 | Fluor-containing 5-trihalogen methyl isoxazoles, and method for their preparation | BAYER AG (DE) | 1988-06-15 | — | — | EP | claimed |
| US-20260078120-A1 | SUBSTITUTED PYRIDOPYRIMIDINONES | Mirati Therapeutics, Inc. (US) | 2026-03-19 | — | — | US | disclosed |
| CN-119019425-A | Alpha 5-GABAAHeterocyclic compounds as receptor modulators | 武汉人福创新药物研发中心有限公司 | 2024-11-26 | — | — | CN | disclosed |
| CN-111683930-B | Novel isoxazole compound or salt thereof | 日本欧爱特农业科技株式会社 | 2023-06-27 | — | — | CN | disclosed |
| CN-111087355-B | Synthetic method of 5-trifluoromethyl-isoxazole compound | 福州大学 | 2023-04-04 | — | — | CN | disclosed |
| CN-111087355-B | Synthetic method of 5-trifluoromethyl-isoxazole compound | 福州大学 | 2023-04-04 | — | — | CN | disclosed |
| CN-111087355-B | Synthetic method of 5-trifluoromethyl-isoxazole compound | 福州大学 | 2023-04-04 | — | — | CN | disclosed |
| US-11304924-B2 | Pharmaceutical compositions comprising nitroxyl donors | CARDIOXYL PHARMACEUTICALS, INC. (US) | 2022-04-19 | — | — | US | disclosed |
| WO-2001081332-A2 | 2-FLUOROBENZENESULFONYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION | PHARMACIA CORPORATION (US) | 2001-11-01 | — | — | WO | disclosed |
| EP-0270963-B1 | FLUOR-CONTAINING 5-TRIHALOGEN METHYL ISOXAZOLES, AND METHOD FOR THEIR PREPARATION | BAYER AG (DE) | 1991-08-07 | — | — | EP | disclosed |
| US-4888430-A | CHEMICAL INTERMEDIATES | BAYER AKTIENGESELLSCHAFT (DE) | 1989-12-19 | — | — | US | disclosed |
| US-4868198-A | ARTHROPODICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1989-09-19 | — | — | US | disclosed |
| EP-0285947-A2 | 3-Haloalkyl-1-aryl-pyrazoles | BAYER AG (DE) | 1988-10-12 | — | — | EP | disclosed |
| EP-0272778-A2 | Cyclopentyl ethers and their use in medicine | GLAXO GROUP LIMITED (GB) | 1988-06-29 | — | — | EP | disclosed |
| EP-0270963-A1 | Fluor-containing 5-trihalogen methyl isoxazoles, and method for their preparation | BAYER AG (DE) | 1988-06-15 | — | — | EP | disclosed |