SCHEMBL198108

SCHEMBL198108

CCOC(=O)CC(O)CC#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
ALDH1A1 P00352 9/20 0.39
TRPA1 O75762 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 3/20 0.37
ALOX15 P16050 3/20 0.37
CYP3A4 P08684 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
HSD17B10 Q99714 2/20 0.36
CHRM1 P11229 1/20 0.36
ADORA1 P30542 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
CYP1A2 P05177 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL391523 1.00 MGAM (0.41) MGAMGAASIMGAM2ALDH1A1
SCHEMBL395418 1.00 MGAM (0.41) MGAMGAASIMGAM2ALDH1A1
Ethyl Acetate SCHEMBL27915037 0.93 ALDH1A1 (0.47) MGAMGAASIMGAM2ALDH1A1
SCHEMBL29980213 0.91 MGAM (0.38) MGAMGAASIMGAM2ALDH1A1
SCHEMBL29133365 0.86 GAA (0.45) MGAMGAASIMGAM2ALDH1A1
SCHEMBL6155363 0.85 ALDH1A1 (0.34) ALDH1A1MEN1KMT2AHSD17B10LMNA
SCHEMBL15233366 0.82 MGAM (0.43) MGAMGAASIMGAM2ALDH1A1
SCHEMBL8798167 0.82 NAAA (0.42) ALDH1A1MEN1KMT2ATSHRLMNA
SCHEMBL6155660 0.82 NAAA (0.42) ALDH1A1MEN1KMT2ATSHRLMNA
SCHEMBL6931390 0.81 TSHR (0.36) ALDH1A1MEN1KMT2ATSHRTDP1

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 418 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-221062625-U Adding device for sulfuric acid and sodium cyanide in production of R-4-cyano-3-hydroxybutyric acid ethyl ester 江苏万年长药业有限公司 2024-06-04 CN claimed
CN-116904530-A Biological preparation method of atorvastatin calcium intermediate 江苏福瑞康泰药业有限公司 2023-10-20 CN claimed
CN-116718704-A Method for detecting enantiomer of R-4-cyano-3-hydroxybutyric acid ethyl ester 抚顺顺能化工有限公司 2023-09-08 CN claimed
CN-116254303-A Enzyme treatment method in production process of R-4-cyano-3-hydroxybutyric acid ethyl ester 江苏万年长药业有限公司 2023-06-13 CN claimed
CN-112430197-B Synthesis method of 3-oxo-5-hydroxy-6-cyano tert-butyl caproate 江苏阿尔法药业股份有限公司 2023-05-05 CN claimed
CN-115894290-A Preparation method of atorvastatin calcium intermediate (R) - (-) -4-cyano-3-hydroxy ethyl butyrate 宿迁阿尔法科技有限公司 2023-04-04 CN claimed
CN-216727181-U Esterification reaction system in production process of R-4-cyano-3-hydroxy ethyl butyrate 江苏万年长药业有限公司 2022-06-14 CN claimed
CN-214609343-U Storage device for preparing ethyl 4-cyano-3-hydroxybutyrate 温州市嘉力化工有限公司 2021-11-05 CN claimed
CN-214539514-U Sample detection device for preparing 4-cyano-3-hydroxy ethyl butyrate 温州市嘉力化工有限公司 2021-10-29 CN claimed
CN-214422651-U Equipment for producing (R) -4-cyano-3-hydroxy ethyl butyrate 江苏阿尔法药业股份有限公司 2021-10-19 CN claimed
CN-101914582-A Organism coupling preparation method of R(-)-4-cyan-3-hydroxybutyric acid ethyl ester LIANYUNGANG HONGYE CHEMICAL CO LTD 2010-12-15 CN claimed
US-7811804-B2 synthetic or recombinant polypeptide having a nitrilase activity; have increased activity and stability at increased pH and temperature VERENIUM CORPORATION (US) 2010-10-12 US claimed
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 claimed
EP-2039762-A2 Nitralases Verenium Corporation (US) 2009-03-25 EP claimed
CN-101260415-A Preparation of two kinds of high optical activity enantiomer of ethyl 4-cyano-3-hydroxybutyrate by biological catalysis method APPLIC CHEMISTRY SUBCT OF JIAX (CN) 2008-09-10 CN claimed
EP-1551796-A4 IMPROVED SYNTHETON SYNTHESIS SK ENERGY AND CHEMICAL INC (US) 2007-03-14 EP claimed
EP-1551796-A1 IMPROVED SYNTHETON SYNTHESIS SK Energy and Chemical, Inc. (US) 2005-07-13 EP claimed
WO-2004031131-A1 IMPROVED SYNTHETON SYNTHESIS SK ENERGY AND CHEMICAL INC. (US) 2004-04-15 WO claimed
US-20040053378-A1 Processes for making (R)-ethyl 4-cyano-3-hydroxybutyric acid DIVERSA CORPORATION (US) 2004-03-18 US claimed
WO-2003106415-A2 PROCESSES FOR MAKING (R)-ETHYL 4-CYANO-3-HYDROXYBUTYRIC ACID DIVERSA CORPORATION (US) 2003-12-24 WO claimed