⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5144644 | 1.00 | — | — | |
| SCHEMBL394265 | 1.00 | — | — | |
| SCHEMBL469701 | 0.87 | ALDH1A1 (0.32) | — | |
| SCHEMBL27937983 | 0.82 | SLC22A6 (0.46) | — | |
| SCHEMBL196713 | 0.81 | — | — | |
| SCHEMBL28518627 | 0.80 | — | — | |
| SCHEMBL875272 | 0.78 | — | — | |
| SCHEMBL3494850 | 0.77 | — | — | |
| SCHEMBL3501156 | 0.74 | — | — | |
| SCHEMBL1139057 | 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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9586931-B2 | Triazolyl derivatives as Syk inhibitors | MERCK SHARP & DOHME CORP. (US) | 2017-03-07 | — | — | US | disclosed |
| US-20150239866-A1 | TRIAZOLYL DERIVATIVES AS SYK INHIBITORS | MERCK CANADA INC. (CA) | 2015-08-27 | — | — | US | disclosed |
| EP-1576108-B1 | NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM | BASF ENZYMES LLC (US) | 2015-07-08 | — | — | EP | disclosed |
| EP-2115153-B1 | NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM | BP CORP NORTH AMERICA INC (US) | 2013-06-05 | — | — | EP | disclosed |
| US-8088613-B2 | Nitrilases, nucleic acids encoding them and methods for making and using them | VERENIUM CORPORATION (US) | 2012-01-03 | — | — | US | disclosed |
| US-7993901-B2 | Nitrilases and methods for making and using them | VERENIUM CORPORATION (US) | 2011-08-09 | — | — | US | disclosed |
| US-7932064-B2 | Converting epichlorohydrin to 3-hydroxyglutaronitrile, catalyzing the conversion of the 3-hydroxyglutaronitrile to 4-cyano-3-hydroxybutyric acid by contacting with polypeptide having a nitrilase activity; intermediate for atorvastatin | VERENIUM CORPORATION (US) | 2011-04-26 | — | — | US | disclosed |
| US-20100216214-A1 | hydrolysis of a hydroxyglutaryl nitrile to generate an ethyl 4-cyano-3-hydroxybutyrate; hydrolysis of a mandelonitrile to generate a mandelic acid; hydrolysis of phenyllactocyanonitrile to generate an (S)-phenyllactic acid | VERENIUM CORPORATION (US) | 2010-08-26 | — | — | US | disclosed |
| US-20100086986-A1 | Increased activity and stability at increased pH and temperature; making a chiral alpha -hydroxy acid molecule, a chiral amino acid molecule, a chiral beta -hydroxy acid molecule, or a chiral gamma-hydroxy acid molecule, from a molecule with a cyanohydrin moiety or an aminonitrile moiety | VERENIUM CORPORATION (US) | 2010-04-08 | — | — | US | disclosed |
| US-7651849-B2 | Increased activity and stability at increased pH and temperature | VERENIUM CORPORATION | 2010-01-26 | — | — | US | disclosed |
| US-7148055-B2 | Process for production of optically active 3-hydroxypentanenitrile | KANEKA CORPORATION (JP) | 2006-12-12 | — | — | US | disclosed |
| EP-1688480-A2 | NOVEL ACETOACETYL-CoA REDUCTASE AND PROCESS FOR PRODUCING OPTICALLY ACTIVE ALCOHOL | KANEKA CORPORATION (JP) | 2006-08-09 | — | — | EP | disclosed |
| CN-1735590-A | Process for producing water-soluble beta-hydroxynitriles | RHODIA PHARMA SOLUTIONS INC (US) | 2006-02-15 | — | — | CN | disclosed |
| US-6960680-B2 | Manufacture of water-soluble β-hydroxynitriles | RHODIA CHIREX, INC. (US) | 2005-11-01 | — | — | US | disclosed |
| EP-1581482-A1 | MANUFACTURE OF WATER-SOLUBLE BETA-HYDROXYNITRILES | Rhodia Pharma Solutions Inc. (US) | 2005-10-05 | — | — | EP | disclosed |
| US-20040235124-A1 | Process for production of optically active 3-hydroxy-pentanenitrile | KANEKA CORPORATION (JP) | 2004-11-25 | — | — | US | disclosed |
| EP-1452603-A1 | PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE 3-HYDROXY- PENTANENITRILE | KANEKA CORPORATION (JP) | 2004-09-01 | — | — | EP | disclosed |
| WO-2004063144-A1 | MANUFACTURE OF WATER-SOLUBLE β-HYDROXYNITRILES | RHODIA PHARMA SOLUTIONS INC. (US) | 2004-07-29 | — | — | WO | disclosed |
| US-20040133029-A1 | Manufacture of water-soluble beta-hydroxynitriles | RHODIA CHIREX, INC. | 2004-07-08 | — | — | US | disclosed |
| JP-2004180597-A | METHOD FOR PRODUCING OPTICALLY ACTIVE 3-HYDROXYPENTANENITRILE AND 3-ACYLOXYPENTANENITRILE | KANEGAFUCHI CHEM IND CO LTD | 2004-07-02 | — | — | JP | disclosed |