⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5861810 | 0.79 | — | — | |
| SCHEMBL112469 | 0.78 | — | — | |
| Water SCHEMBL7929821 | 0.75 | LMNA (0.37) | — | |
| Water SCHEMBL5127632 | 0.75 | LMNA (0.37) | — | |
| Water SCHEMBL6763348 | 0.75 | LMNA (0.37) | — | |
| SCHEMBL891845 | 0.73 | — | — | |
| SCHEMBL196347 | 0.73 | CA2 (0.40) | — | |
| SCHEMBL11635042 | 0.73 | — | — | |
| SCHEMBL22952523 | 0.73 | — | — | |
| SCHEMBL6510412 | 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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103724512-B | Perfluoroelastomer and preparation method thereof | 上海三爱富新材料股份有限公司 | 2016-08-17 | — | — | CN | claimed |
| CN-103724512-A | Perfluoroelastomer and preparation method thereof | SHANGHAI 3F NEW MATERIAL CO LTD | 2014-04-16 | — | — | CN | claimed |
| CN-103724512-B | Perfluoroelastomer and preparation method thereof | 上海三爱富新材料股份有限公司 | 2016-08-17 | — | — | CN | disclosed |
| CN-103724512-A | Perfluoroelastomer and preparation method thereof | SHANGHAI 3F NEW MATERIAL CO LTD | 2014-04-16 | — | — | CN | disclosed |
| US-6774266-B2 | Process for producing 1,1,1-trifluoroacetone | CENTRAL GLASS COMPANY, LIMITED (JP) | 2004-08-10 | — | — | US | disclosed |
| US-20030114713-A1 | Process for producing 1,1,1- trifluoroacetone | CENTRAL GLASS COMPANY, LIMITED (JP) | 2003-06-19 | — | — | US | disclosed |
| EP-0872468-B1 | Method for producing 3,3-dichloro-1,1,1-trifluoroacetone | CENTRAL GLASS CO LTD (JP) | 2001-07-25 | — | — | EP | disclosed |
| US-6177595-B1 | FLUORINATING IN A LIQUID PHASE A 1,1-DICHLORO-3-FLUORO-3,3-DICHLORO-, CHLORO/FLUORO-, OR DIFLUOROACETONE, PREFERABLY PENTACHLOROACETONE, BY HYDROGEN FLUORIDE USING A CATALYST OF TIN TETRAHALIDE; CORROSION RESISTANCE; EFFICIENCY | CENTRAL GLASS COMPANY, LIMITED (JP) | 2001-01-23 | — | — | US | disclosed |
| US-5905174-A | FLUORINATING PENTACHLOROACETONE WITH HYDROGEN FLUORIDE IN THE PRESENCE OF A CATALYST | CENTRAL GLASS COMPANY, LIMITED (JP) | 1999-05-18 | — | — | US | disclosed |
| EP-0872468-A1 | Method for producing 3,3-dichloro-1,1,1-trifluoroacetone | Central Glass Company, Limited (JP) | 1998-10-21 | — | — | EP | disclosed |