Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Trifluoroethanol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ 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 | |
|---|---|---|---|---|
| Trifluoroethanol SCHEMBL3396675 | 0.87 | — | — | |
| Trifluoroethanol SCHEMBL8952016 | 0.87 | — | — | |
| Trifluoroethanol SCHEMBL28192499 | 0.87 | MEN1 (0.36) | — | |
| Trifluoroethanol SCHEMBL4869 | 0.87 | — | — | |
| Trifluoroethanol SCHEMBL5733186 | 0.85 | ALDH1A1 (0.39) | — | |
| Trifluoroethanol SCHEMBL319180 | 0.82 | — | — | |
| Trifluoroethanol SCHEMBL3396004 | 0.82 | — | — | |
| Trifluoroethanol SCHEMBL7993974 | 0.82 | — | — | |
| Trifluoroethanol SCHEMBL27724160 | 0.82 | — | — | |
| Trifluoroethanol SCHEMBL26597345 | 0.82 | — | — |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0886652-B1 | PULMONARY SURFACTANT PEPTIDE SOLUBILIZATION PROCESS | ORTHO MCNEIL PHARM INC (US) | 2002-04-17 | — | — | EP | claimed |
| EP-4276104-A2 | IMPROVED OLIGONUCLEOTIDE SYNTHESIS SUPPRESSING DEPURINATION | Bachem Holding AG (CH) | 2023-11-15 | — | — | EP | disclosed |
| EP-4161942-B1 | IMPROVED OLIGONUCLEOTIDE SYNTHESIS SUPPRESSING DEPURINATION | BACHEM HOLDING AG (CH) | 2023-08-02 | — | — | EP | disclosed |
| EP-4161942-A1 | IMPROVED OLIGONUCLEOTIDE SYNTHESIS | Bachem Holding AG (CH) | 2023-04-12 | — | — | EP | disclosed |
| WO-2022195111-A1 | IMPROVED OLIGONUCLEOTIDE SYNTHESIS | BACHEM HOLDING AG (CH) | 2022-09-22 | — | — | WO | disclosed |
| US-20210155830-A1 | PHOTOCHROMIC ADHESIVE COMPOSITION, PHOTOCHROMIC LAYERED BODY, AND OPTICAL ARTICLE USING SAID PHOTOCHROMIC LAYERED BODY | TOKUYAMA CORPORATION (JP) | 2021-05-27 | — | — | US | disclosed |
| EP-3779530-A1 | PHOTOCHROMIC ADHESIVE COMPOSITION, PHOTOCHROMIC LAYERED BODY, AND OPTICAL ARTICLE USING SAID PHOTOCHROMIC LAYERED BODY | Tokuyama Corporation (JP) | 2021-02-17 | — | — | EP | disclosed |
| WO-2019194281-A1 | PHOTOCHROMIC ADHESIVE COMPOSITION, PHOTOCHROMIC LAYERED BODY, AND OPTICAL ARTICLE USING SAID PHOTOCHROMIC LAYERED BODY | 株式会社トクヤマ | 2019-10-10 | — | — | WO | disclosed |
| US-9585892-B2 | Solid forms comprising N-(5-tert-butyl-isoxazol-3-yl)-N′-{4-[7-(2-morpholin-4-yl-ethoxy)imidazo[2,1-b][1,3]benzothiazol-2-yl]phenyl}urea, compositions thereof, and uses therewith | AMBIT BIOSCIENCES (US) | 2017-03-07 | — | — | US | disclosed |
| EP-2201018-B1 | SOLID FORMS COMPRISING N-(5-TERT-BUTYL-ISOXAZOL-3-YL)-N'-{4-Ý7-(2-MORPHOLIN-4-YL-ETHOXY)IMIDAZOÝ2,1-B¨Ý1,3¨BENZOTHIAZOL-2-YL¨PHENYL}UREA, COMPOSITIONS THEREOF, AND USES THEREWITH | AMBIT BIOSCIENCES CORP (US) | 2016-03-16 | — | — | EP | disclosed |
| US-20150238499-A1 | SOLID FORMS COMPRISING N-(5-TERT-BUTYL-ISOXAZOL-3-YL)-N'-UREA, COMPOSITIONS THEREOF, AND USES THEREWITH | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2015-08-27 | — | — | US | disclosed |
| US-8883783-B2 | Solid forms comprising N-(5-tert-butyl-isoxazol-3-yl)-N′-{4-[7-(2-morpholin-4-yl-ethoxy)imidazo[2,1-b][1,3]benzothiazol-2-yl]phenyl}urea, compositions thereof, and uses therewith | AMBIT BIOSCIENCES CORPORATION (US) | 2014-11-11 | — | — | US | disclosed |
| EP-2201018-A2 | SOLID FORMS COMPRISING N-(5-TERT-BUTYL-ISOXAZOL-3-YL)-N'-{4-Ý7-(2-MORPHOLIN-4-YL-ETHOXY)IMIDAZOÝ2,1-B¨Ý1,3¨BENZOTHIAZOL-2-YL¨PHENYL}UREA, COMPOSITIONS THEREOF, AND USES THEREWITH | Ambit Biosciences Corporation (US) | 2010-06-30 | — | — | EP | disclosed |
| US-20090131426-A1 | SOLID FORMS COMPRISING N-(5-TERT-BUTYL-ISOXAZOL-3-YL)-N'-UREA, COMPOSITIONS THEREOF, AND USES THEREWITH | AMBIT BIOSCIENCES | 2009-05-21 | — | — | US | disclosed |
| WO-2009038757-A2 | SOLID FORMS COMPRISING N-(5-TERT-BUTYL-ISOXAZOL-3-YL)-N'-{4-[7-(2-MORPHOLIN-4-YL-ETHOXY)IMIDAZO[2,1-B][1,3]BENZOTHIAZOL-2-YL]PHENYL}UREA, COMPOSITIONS THEREOF, AND USES THEREWITH | AMBIT BIOSCIENCES CORPORATION (US) | 2009-03-26 | — | — | WO | disclosed |
| US-6749691-B2 | Methods of cleaning discolored metallic arrays using chemical compositions | AIR LIQUIDE AMERICA, L.P. | 2004-06-15 | — | — | US | disclosed |
| US-20020108633-A1 | Methods of cleaning discolored metallic arrays using chemical compositions | AMERICAN AIR LIQUIDE, INC. (US) | 2002-08-15 | — | — | US | disclosed |
| US-5759285-A | Method and solution for cleaning solder connections of electronic components | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 1998-06-02 | — | — | US | disclosed |