SCHEMBL3063573

SCHEMBL3063573

O=C(O)C[C@H](O)CBr

nearest known ligand 0.00

⚠ 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL4020060 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 141 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1213354-B1 Process for producing optically active 4-halo-3-hydroxybutanoate SUMITOMO CHEMICAL CO (JP) 2007-05-30 EP claimed
US-6884607-B2 Process for producing optically active 4-halo-3-hydroxybutanoate SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-04-26 US claimed
US-20050019816-A1 Process for producing optically active-4-halo-3-hydroxybutanoate SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-01-27 US claimed
US-20030134402-A1 Process for producing optically active 4-halo-3-hydroxybutanoate SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-07-17 US claimed
EP-1213354-A2 Process for producing optically active 4-halo-3-hydroxybutanoate SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-06-12 EP claimed
EP-0643689-B1 IMPROVED PROCESS FOR THE SYNTHESIS OF (5R)-1,1-DIMETHYLETHYL 6-CYANO-5-HYDROXY-3-OXO-HEXANOATE WARNER LAMBERT CO (US) 1998-12-30 EP claimed
EP-0643689-A1 IMPROVED PROCESS FOR THE SYNTHESIS OF (5R)-1,1-DIMETHYLETHYL 6-CYANO-5-HYDROXY-3-OXO-HEXANOATE WARNER-LAMBERT COMPANY (US) 1995-03-22 EP claimed
WO-1993007115-A1 IMPROVED PROCESS FOR THE SYNTHESIS OF (5R)-1,1-DIMETHYLETHYL 6-CYANO-5-HYDROXY-3-OXO-HEXANOATE WARNER-LAMBERT COMPANY (US) 1993-04-15 WO claimed
US-5155251-A Process for the synthesis of (5R)-1,1-dimethylethyl-6-cyano-5-hydroxy-3-oxo-hexanoate WARNER-LAMBERT COMPANY (US) 1992-10-13 US claimed
CN-104370953-B (R)-tert-butyl dimethyl siloxy-glutaric acid monoester preparation method 浙江新东港药业股份有限公司 2017-01-18 CN disclosed
CN-104370953-A (R)-tert-butyl dimethyl siloxy-glutaric acid monoester preparation method ZHEJIANG NEO DANKONG PHARMACEUTICAL CO LTD 2015-02-25 CN disclosed
CN-101367780-B Joint production method for (S)-3-hydroxyl-gamma-butyrolactone, (S)-3-hydroxyl tetrahydrofuran CHANGMAO BIOCHEMICAL ENGINEERING CO LTD 2011-04-20 CN disclosed
US-20100261251-A1 MICROBIAL KINETIC RESOLUTION OF ETHYL-3,4-EPOXYBUTYRATE AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-10-14 US disclosed
US-7807423-B2 Enzymatic processes for the production of 4-substituted 3-hydroxybutyric acid derivatives CODEXIS, INC. (US) 2010-10-05 US disclosed
US-5017716-A 3-hydroxy-3-methylglutaryl-coenzyme a E.R. SQUIBB & SONS, INC. (US) 1991-05-21 US disclosed
US-4992429-A Novel HMG-COA reductase inhibitors RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-02-12 US disclosed
EP-0356788-A2 Quinoline and pyridine anchors for HMG-CoA reductase inhibitors E.R. SQUIBB &amp; SONS, INC. (US) 1990-03-07 EP disclosed
US-4904646-A INHIBIT CHOLESTEROL BIOSYNTHESIS E. R. SQUIBB & SONS, INC. (US) 1990-02-27 US disclosed
CN-1030761-A Phosphorated 3-hydroxyl-3-first glutaryl CoA-reductase inhibitors, new intermediate and method SQUIBB & SONS INC (US) 1989-02-01 CN disclosed
CN-88103091-A Phosphorous HMG-COA reductase inhibitor, new intermediate and using method SQUIBB & SONS INC (US) 1988-12-21 CN disclosed