⚠ 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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL9424929 | 0.87 | CA2 (0.31) | — | |
| SCHEMBL3943421 | 0.70 | — | — | |
| SCHEMBL17356130 | 0.67 | — | — | |
| SCHEMBL16605687 | 0.64 | — | — | |
| SCHEMBL8071572 | 0.64 | MEN1 (0.31) | — | |
| SCHEMBL11183978 | 0.62 | — | — | |
| SCHEMBL1448594 | 0.62 | — | — | |
| SCHEMBL14996082 | 0.62 | — | — | |
| SCHEMBL16026304 | 0.62 | — | — | |
| SCHEMBL263470 | 0.62 | — | — |
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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101585756-A | Method for preparing hexafluoroacetone | SHANGHAI 3F NEW MATERIAL CO LT (CN) | 2009-11-25 | — | — | CN | claimed |
| CN-1141623-A | Production of hexafluoroacetone and its oxime | MINNESOTA MINING & MFG (US) | 1997-01-29 | — | — | CN | claimed |
| EP-0748308-A1 | PRODUCTION OF HEXAFLUOROACETONE AND ITS OXIME | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1996-12-18 | — | — | EP | claimed |
| US-5466879-A | From perfluoroisobutene and trialkylamine, hydrolysis, solvent complex | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1995-11-14 | — | — | US | claimed |
| WO-1995023124-A1 | PRODUCTION OF HEXAFLUOROACETONE AND ITS OXIME | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1995-08-31 | — | — | WO | claimed |
| CN-107963996-B | Method for preparing 3-trifluoromethyl isoxazole compound by one-pot method | 江西师范大学 | 2021-06-11 | — | — | CN | disclosed |
| CN-107963996-A | Method for preparing 3-trifluoromethyl isoxazole compound by one-pot method | 江西师范大学 | 2018-04-27 | — | — | CN | disclosed |
| EP-2216320-B1 | NOVEL CARBOXYLIC ACID ESTER, USE OF THE SAME, AND METHOD FOR PRODUCING THE SAME | DAIKIN IND LTD (JP) | 2016-08-03 | — | — | EP | disclosed |
| CN-103641692-B | Preparation of novel fluorine-containing bisphenol compound | UNIV BEIHANG | 2015-07-08 | — | — | CN | disclosed |
| CN-101855196-B | Novel carboxylic acid ester, use thereof, and method for producing same | DAIKIN IND LTD | 2014-07-30 | — | — | CN | disclosed |
| CN-102863319-B | Novel carboxylic acid compound, use thereof, and process for producing the same | DAIKIN IND LTD | 2014-07-23 | — | — | CN | disclosed |
| EP-2039675-B1 | ALPHA-FLUOROMETHOXYCARBOXYLIC ESTER, PROCESS FOR PRODUCING THEM, AND PROCESS FOR PRODUCING SEVOFLURANE | DAIKIN IND LTD (JP) | 2014-06-11 | — | — | EP | disclosed |
| US-5466879-A | From perfluoroisobutene and trialkylamine, hydrolysis, solvent complex | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1995-11-14 | — | — | US | disclosed |
| US-5466879-A | From perfluoroisobutene and trialkylamine, hydrolysis, solvent complex | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1995-11-14 | — | — | US | disclosed |
| WO-1995023124-A1 | PRODUCTION OF HEXAFLUOROACETONE AND ITS OXIME | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1995-08-31 | — | — | WO | disclosed |
| WO-1995023124-A1 | PRODUCTION OF HEXAFLUOROACETONE AND ITS OXIME | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1995-08-31 | — | — | WO | disclosed |
| US-5276187-A | Ketoxime carbonates and process for the synthesis of ketoxime carbonates generally | ALLIEDSIGNAL INC. (US) | 1994-01-04 | — | — | US | disclosed |
| WO-1993004037-A1 | KETOXIME CARBONATES AND PROCESS FOR THEIR SYNTHESIS | ALLIED-SIGNAL INC. (US) | 1993-03-04 | — | — | WO | disclosed |
| US-4315019-A | Novel aryltrifluoroethylamines and processes for producing the same | SCIENCE UNION ET CIE (FR) | 1982-02-09 | — | — | US | disclosed |
| US-4267345-A | 2-//PYRROL-2-YL, THIEN-2-YL, OR FUR-2-YL/-ALPHA-TRIFLUOROALKYL-AMINOOXAZOLINES; HYPOTENSIVE AGENTS | SCIENCE UNION ET CIE (FR) | 1981-05-12 | — | — | US | disclosed |