⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3063573 | 1.00 | — | — | |
| SCHEMBL1405790 | 1.00 | — | — | |
| SCHEMBL8893405 | 0.87 | SLC22A6 (0.57) | — | |
| SCHEMBL8893398 | 0.87 | SLC22A6 (0.57) | — | |
| SCHEMBL8893395 | 0.87 | SLC22A6 (0.57) | — | |
| SCHEMBL112368 | 0.81 | SLC22A6 (1.00) | — | |
| SCHEMBL30496763 | 0.81 | SLC22A6 (1.00) | — | |
| SCHEMBL8893746 | 0.79 | SLC22A6 (0.42) | — | |
| SCHEMBL8893755 | 0.79 | SLC22A6 (0.42) | — | |
| SCHEMBL6733935 | 0.78 | SLC22A6 (0.93) | — |
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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109053479-B | Method for synthesizing quaternary amine inner salt | 兆科药业（合肥）有限公司 | 2021-09-07 | — | — | CN | disclosed |
| CN-112028881-A | Synthetic method of high-grade intermediate R-1 of rosuvastatin calcium | 能特科技有限公司 | 2020-12-04 | — | — | CN | disclosed |
| US-9523106-B2 | Process for the enzymatic production of carnitine from beta-lactones | LONZA LTD. (CH) | 2016-12-20 | — | — | US | disclosed |
| CN-104230879-B | A kind of 2-((4R, 6S)-6-formoxyl-2,2-disubstituted-1,3-dioxane-4-base) acetas preparation method | 新发药业有限公司 | 2016-08-24 | — | — | CN | disclosed |
| CN-105753834-A | Synthesis method of rosuvastatin calcium key chiral intermediate | 河南师范大学 | 2016-07-13 | — | — | CN | disclosed |
| EP-2737074-B1 | Process for producing L-carnitine from beta-lactones employing lipases | LONZA AG (CH) | 2016-06-01 | — | — | EP | disclosed |
| CN-104230990-B | 2-((4R, 6S)-6-triphenylphosphine alkene methene base-2,2-is disubstituted-1,3-dioxane-4-yl) acetic acid esters and preparation method thereof and application | XINFA PHARMACEUTICAL CO., LTD. (CN) | 2016-05-11 | — | — | CN | disclosed |
| CN-104163808-B | A kind of preparation method of 2-((4R, 6S)-6-substituent methyl-2-substituting group-1,3-dioxane-4-base) acetic ester | XINFA PHARMACEUTICAL CO., LTD. (CN) | 2016-04-06 | — | — | CN | disclosed |
| CN-104230990-A | 2-((4R,6S)-6-triphenylphosphoalkenylmethylene-2,2-disubstituted-1,3-dioxyhexacyclo-4-yl)acetate, and preparation method and application thereof | XINFA PHARMACEUTICAL CO LTD | 2014-12-24 | — | — | CN | disclosed |
| CN-104230879-A | Simple and convenient preparation method of 2-((4R,6S)-6-formyl-2,2-disubstituted-1,3-dioxane-4-yl)acetate | XINFA PHARMACEUTICAL CO LTD | 2014-12-24 | — | — | CN | disclosed |
| EP-1213354-A2 | Process for producing optically active 4-halo-3-hydroxybutanoate | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2002-06-12 | — | — | EP | disclosed |
| US-20020042055-A1 | Alteration of hydrolase genes and screening of the resulting libraries for the ability to catalyze specific reactions | MAXYGEN, INC. | 2002-04-11 | — | — | US | disclosed |
| EP-0915866-B1 | IMPROVED PROCESS FOR THE SYNTHESIS OF PROTECTED ESTERS OF (S)-3,4-DIHYDROXYBUTYRIC ACID | WARNER LAMBERT CO (US) | 2002-03-27 | — | — | EP | disclosed |
| WO-2001046476-A1 | ALTERATION OF HYDROLASE GENES AND SCREENING OF THE RESULTING LIBRARIES FOR THE ABILITY TO CATALYZE SPECIFIC REACTIONS | MAXYGEN, INC. (US) | 2001-06-28 | — | — | WO | disclosed |
| US-5998633-A | Process for the synthesis of protected esters of (S)-3,4-dihydroxybutyric acid | WARNER-LAMBERT COMPANY (US) | 1999-12-07 | — | — | US | disclosed |
| EP-0915866-A1 | IMPROVED PROCESS FOR THE SYNTHESIS OF PROTECTED ESTERS OF (S)-3,4-DIHYDROXYBUTYRIC ACID | WARNER-LAMBERT COMPANY (US) | 1999-05-19 | — | — | EP | disclosed |
| WO-1998004543-A1 | IMPROVED PROCESS FOR THE SYNTHESIS OF PROTECTED ESTERS OF (S)-3,4-DIHYDROXYBUTYRIC ACID | WARNER-LAMBERT COMPANY (US) | 1998-02-05 | — | — | WO | disclosed |
| US-4710468-A | FROM OPTICALLY ACTIVE SUBSTITUTED HYDROXYBUTYRIC ACID DERIVATIVES WITH OXIDOREDUCTASE | SIGMA-TAU INDUSTRIE PHARMACEUTICHE RIUNITE S.P.A. (IT) | 1987-12-01 | — | — | US | disclosed |
| US-4710468-A | FROM OPTICALLY ACTIVE SUBSTITUTED HYDROXYBUTYRIC ACID DERIVATIVES WITH OXIDOREDUCTASE | SIGMA-TAU INDUSTRIE PHARMACEUTICHE RIUNITE S.P.A. (IT) | 1987-12-01 | — | — | US | disclosed |
| US-4642290-A | OXIDOREDUCTASE ENZYMES FERMENTING 4-SUBSTITUTED-ACETOACETIC ESTERS OR AMIDES | SIH CHARLES J (US) | 1987-02-10 | — | — | US | disclosed |