⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5382945 | 1.00 | — | — | |
| Ether SCHEMBL7189239 | 0.80 | KDM4E (0.32) | — | |
| SCHEMBL322006 | 0.73 | — | — | |
| SCHEMBL26348128 | 0.73 | — | — | |
| SCHEMBL6908320 | 0.73 | ALDH1A1 (0.35) | — | |
| SCHEMBL6348790 | 0.71 | ALDH1A1 (0.37) | — | |
| SCHEMBL128482 | 0.71 | — | — | |
| SCHEMBL4712886 | 0.71 | PKM (0.41) | — | |
| Bicarbonate SCHEMBL27614276 | 0.69 | CA1 (0.39) | — | |
| Trifluoroacetic Acid SCHEMBL15321506 | 0.69 | ALDH1A1 (0.38) | — |
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 113 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117946153-A | Synthesis method of 3, 3-trifluoro lactic acid | 四川富华信新材料科技有限公司 | 2024-04-30 | — | — | CN | claimed |
| US-10577456-B2 | Halogenated cyclic diesters, related polymers, and methods for their preparation and use | RATNER BUDDY D (US) | 2020-03-03 | — | — | US | claimed |
| JP-4817600-B2 | — | — | 2011-11-16 | — | — | JP | claimed |
| EP-1434768-B1 | ENHANCED SUBSTRATE IMAGING BY REVERSIBLE BINDING TO A PARAMAGNETIC COMPLEX | BRACCO IMAGING SPA (IT) | 2009-08-12 | — | — | EP | claimed |
| US-7005552-B2 | Single reactor synthesis of KOH-capped polyols based on DMC-synthesized intermediates | BAYER MATERIALSCIENCE LLC (US) | 2006-02-28 | — | — | US | claimed |
| US-20050096488-A1 | Single reactor synthesis of KOH-capped polyols based on DMC-synthesized intermediates | COVESTRO LLC | 2005-05-05 | — | — | US | claimed |
| EP-1528073-A1 | Single reactor synthesis of polyols capped using basic catalysts and being based on intermediates synthesized using DMC-catalysts | Bayer MaterialScience LLC (US) | 2005-05-04 | — | — | EP | claimed |
| US-20040258618-A1 | Enhanced substrate imaging by reversible binding to a paramagnetic complex | BRACCO IMAGING S.P.A. (IT) | 2004-12-23 | — | — | US | claimed |
| EP-1434768-A1 | ENHANCED SUBSTRATE IMAGING BY REVERSIBLE BINDING TO A PARAMAGNETIC COMPLEX | Bracco Imaging S.p.A. (IT) | 2004-07-07 | — | — | EP | claimed |
| WO-2003033479-A1 | ENHANCED SUBSTRATE IMAGING BY REVERSIBLE BINDING TO A PARAMAGNETIC COMPLEX | BRACCO IMAGING S.P.A. (IT) | 2003-04-24 | — | — | WO | claimed |
| EP-1302465-A1 | Enhanced substrate imaging by reversible binding to a paramagnetic complex | BRACCO IMAGING S.p.A. (IT) | 2003-04-16 | — | — | EP | claimed |
| JP-5058954-A | — | — | None | — | — | JP | disclosed |
| JP-5213821-A | — | — | None | — | — | JP | disclosed |
| JP-5058955-A | — | — | None | — | — | JP | disclosed |
| JP-6239797-A | — | — | None | — | — | JP | disclosed |
| JP-H0558955-A | PRODUCTION OF BETA-FLUORO-ALPHA-KETO ACID EQUIVALENT SUBSTANCE | NIKKO KYODO CO LTD | 1993-03-09 | — | — | JP | disclosed |
| JP-H0558954-A | PRODUCTION OF TRIFLUOROLACTIC ACID DERIVATIVE | NIKKO KYODO CO LTD | 1993-03-09 | — | — | JP | disclosed |
| WO-1992020641-A1 | OPTICALLY ACTIVE TRIFLUOROLACTIC ACID DERIVATIVE AND LIQUID CRYSTAL COMPOSITION | CHISSO CORPORATION (JP) | 1992-11-26 | — | — | WO | disclosed |
| JP-H03148249-A | PREPARATION OF 2-HYDROXY-3,3,3-TRIFLUOROPROPIONITRILE | TOAGOSEI CHEM IND CO LTD | 1991-06-25 | — | — | JP | disclosed |
| US-4103084-A | ANTIBIOTICS | GLAXO LABORATORIES LIMITED (GB) | 1978-07-25 | — | — | US | disclosed |