⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6913772 | 1.00 | — | — | |
| SCHEMBL3755406 | 1.00 | — | — | |
| SCHEMBL28733920 | 0.83 | — | — | |
| SCHEMBL6054264 | 0.81 | TET2 (0.67) | — | |
| SCHEMBL3261082 | 0.81 | TET2 (0.67) | — | |
| SCHEMBL9979695 | 0.79 | GPR84 (0.61) | — | |
| SCHEMBL14237892 | 0.79 | GPR84 (0.61) | — | |
| SCHEMBL28361959 | 0.77 | — | — | |
| SCHEMBL574040 | 0.75 | — | — | |
| SCHEMBL11651698 | 0.75 | GPR84 (0.71) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7833767-B2 | having enhanced ketoreductase activity and/or thermostability for use in the stereospecific reduction of ketones; non-naturally occurring ketoreductas polypeptide capable of converting ethyl 4-chloroacetoacetate to ethyl (S)-4-chloro-3-hydroxybutyrate in the presence of cofactor NADPH | CODEXIS, INC. (US) | 2010-11-16 | — | — | US | claimed |
| CN-111269158-A | Preparation method of α -hydroxy acid ester compound | 西安玄德医药科技有限公司 | 2020-06-12 | — | — | CN | disclosed |
| EP-1131279-B1 | INDUSTRIAL PROCESS FOR THE PRODUCTION OF L-CARNITINE | SIGMA TAU IND FARMACEUTI (IT) | 2004-05-12 | — | — | EP | disclosed |
| US-6566552-B2 | Reduction of an alkyl 4-chloro-3 -oxobutyrate or -oxobutyr amide to 4-chloro-3 -hydroxybutyrate or -hydroxybutyramide in the presence of ruthenium complex reduction catalyst followed by quaternization with trimethylamine | SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) | 2003-05-20 | — | — | US | disclosed |
| US-20020165408-A1 | Industrial process for the production of L-carnitine | SIGMA-TAU INDUSTRIES FARMACEUTICHE RIUNITE S.P.A. (IT) | 2002-11-07 | — | — | US | disclosed |
| EP-1131279-A1 | INDUSTRIAL PROCESS FOR THE PRODUCTION OF L-CARNITINE | Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) | 2001-09-12 | — | — | EP | disclosed |
| WO-2000029370-A1 | INDUSTRIAL PROCESS FOR THE PRODUCTION OF L-CARNITINE | SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) | 2000-05-25 | — | — | WO | disclosed |
| EP-0467132-B1 | 4-Substituted-2-hydroxybutanoates and a process for producing them | CHISSO CORP (JP) | 1997-01-22 | — | — | EP | disclosed |
| US-5324852-A | Ring opening optically active a-hydroxybutyrolactone; esterification | CHISSO CORPORATION (JP) | 1994-06-28 | — | — | US | disclosed |
| EP-0467132-A2 | 4-Substituted-2-hydroxybutanoates and a process for producing them | CHISSO CORPORATION (JP) | 1992-01-22 | — | — | EP | disclosed |