⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11365878 | 0.79 | — | — | |
| SCHEMBL5860710 | 0.79 | — | — | |
| SCHEMBL6908016 | 0.79 | — | — | |
| Water SCHEMBL27655125 | 0.77 | — | — | |
| SCHEMBL22952523 | 0.71 | — | — | |
| SCHEMBL10580694 | 0.71 | — | — | |
| SCHEMBL7934605 | 0.67 | — | — | |
| SCHEMBL25169780 | 0.63 | — | — | |
| SCHEMBL1962768 | 0.63 | ALDH1A1 (0.38) | — | |
| SCHEMBL3750293 | 0.63 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7002043-B2 | Process for producing 1,1,1-trifluoroacetone | CENTRAL GLASS COMPANY, LIMITED (JP) | 2006-02-21 | — | — | US | claimed |
| US-20040034254-A1 | Process for producing 1,1,1-trifluoroacetone | CENTRAL GLASS COMPANY, LIMITED (JP) | 2004-02-19 | — | — | US | claimed |
| CN-115894191-B | Method for coproducing trifluoroacetone and difluoroacetate | 山东华安新材料有限公司 | 2024-01-30 | — | — | CN | disclosed |
| CN-115894191-A | Method for co-producing trifluoroacetone and difluoroacetic acid ester | 山东华安新材料有限公司 | 2023-04-04 | — | — | CN | disclosed |
| US-7002043-B2 | Process for producing 1,1,1-trifluoroacetone | CENTRAL GLASS COMPANY, LIMITED (JP) | 2006-02-21 | — | — | US | disclosed |
| US-20040034254-A1 | Process for producing 1,1,1-trifluoroacetone | CENTRAL GLASS COMPANY, LIMITED (JP) | 2004-02-19 | — | — | US | disclosed |
| JP-2003342221-A | METHOD FOR PRODUCING 1,1,1-TRIFLUOROACETONE | CENTRAL GLASS CO LTD | 2003-12-03 | — | — | JP | 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 |