⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5841 | 1.00 | — | — | |
| SCHEMBL30782439 | 1.00 | — | — | |
| SCHEMBL4922 | 1.00 | — | — | |
| SCHEMBL473898 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL22365812 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL15390393 | 0.96 | — | — | |
| SCHEMBL8671265 | 0.86 | ALDH1A1 (0.31) | — | |
| SCHEMBL25350924 | 0.80 | TSHR (0.35) | — | |
| SCHEMBL10005745 | 0.78 | — | — | |
| SCHEMBL892248 | 0.78 | — | — |
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 659 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111792985-A | Fluorine-containing heat transfer fluid and preparation method and application thereof | 北京宇极科技发展有限公司 | 2020-10-20 | — | — | CN | claimed |
| EP-2511376-B1 | METHOD FOR INDUSTRIALLY PRODUCING (S)-1,1,1-TRIFLUORO-2-PROPANOL | TOYAMA PREFECTURE (JP) | 2019-03-27 | — | — | EP | claimed |
| CN-104894169-B | A kind of preparation method of (S) -1,1,1- Trifluoroisoproanol | 苏州汉酶生物技术有限公司 | 2019-02-15 | — | — | CN | claimed |
| US-10040759-B2 | Substituted azetidinyl compounds as GlyT1 inhibitors | DART NEUROSCIENCE (CAYMAN) LTD. (KY) | 2018-08-07 | — | — | US | claimed |
| US-20170334846-A1 | SUBSTITUTED AZETIDINYL COMPOUNDS AS GLYT1 INHIBITORS | DART NEUROSCIENCE (CAYMAN) LTD. (KY) | 2017-11-23 | — | — | US | claimed |
| EP-3215500-A1 | SUBSTITUTED AZETIDINYL COMPOUNDS AS GLYT1 INHIBITORS | Dart NeuroScience (Cayman) Ltd. (KY) | 2017-09-13 | — | — | EP | claimed |
| US-9708334-B2 | Substituted 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole and 4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine compounds as GlyT1 inhibitors | DART NEUROSCIENCE (CAYMAN) LTD. (KY) | 2017-07-18 | — | — | US | claimed |
| US-20170044167-A1 | SUBSTITUTED 2,4,5,6-TETRAHYDROPYRROLO[3,4-C]PYRAZOLE AND 4,5,6,7-TETRAHYDRO-2H-PYRAZOLO[4,3-C]PYRIDINE COMPOUNDS AS GLYT1 INHIBITORS | DART NEUROSCIENCE LLC | 2017-02-16 | — | — | US | claimed |
| WO-2016073420-A1 | SUBSTITUTED AZETIDINYL COMPOUNDS AS GLYT1 INHIBITORS | DART NEUROSCIENCE, LLC (US) | 2016-05-12 | — | — | WO | claimed |
| CN-105481645-A | (S)-1,1,1-trifluoro-2-propanol synthesis method | UNIV ZHEJIANG SCIENCE & TECH | 2016-04-13 | — | — | CN | claimed |
| US-20090203096-A1 | Process for Production of Optically Active Alcohol | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2009-08-13 | — | — | US | claimed |
| US-7504544-B2 | preparing an enantiomerically pure (S)-1,1,1-trifluoro-2-propanol by an asymmetric hydrogenation of 1,1,1-trifluoroacetone comprising hydrogenating 1,1,1-trifluoroacetone in the presence of a ruthenium phosphine complex catalyst | HOFFMANN-LA ROCHE INC. (US) | 2009-03-17 | — | — | US | claimed |
| EP-2034026-A1 | PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE ALCOHOL | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2009-03-11 | — | — | EP | claimed |
| WO-2008107334-A2 | PROCESS FOR THE SYNTHESIS OF GLYT-1 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-09-12 | — | — | WO | claimed |
| US-20080221327-A1 | SYNTHESIS OF GLYT-1 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-09-11 | — | — | US | claimed |
| EP-1904640-A2 | ASYMMETRIC REDUCTION OF 1,1,1-TRIFLUOROACETONE | F. Hoffmann-Roche AG (CH) | 2008-04-02 | — | — | EP | claimed |
| US-20080027249-A1 | preparing an enantiomerically pure (S)-1,1,1-trifluoro-2-propanol by an asymmetric hydrogenation of 1,1,1-trifluoroacetone comprising hydrogenating 1,1,1-trifluoroacetone in the presence of a ruthenium phosphine complex catalyst | HOFFMANN-LA ROCHE INC. | 2008-01-31 | — | — | US | claimed |
| US-7196234-B2 | Asymmetric reduction of 1,1,1-trifluoroacetone | HOFFMAN-LA ROCHE INC. (US) | 2007-03-27 | — | — | US | claimed |
| WO-2007006650-A2 | ASYMMETRIC REDUCTION OF 1,1,1-TRIFLUOROACETONE | F. HOFFMANN-LA ROCHE AG (CH) | 2007-01-18 | — | — | WO | claimed |
| US-20070009999-A1 | Asymmetric reduction of 1,1,1-trifluoroacetone | HOFFMANN-LA ROCHE INC. | 2007-01-11 | — | — | US | claimed |