SCHEMBL27753226

SCHEMBL27753226

CCOC(=O)CC(O)CF

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.46
GAA P10253 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
ALDH1A1 P00352 7/20 0.43
TRPA1 O75762 1/20 0.43
ALOX15 P16050 3/20 0.40
CYP3A4 P08684 2/20 0.40
TSHR P16473 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
HSD17B10 Q99714 2/20 0.39
CHRM1 P11229 1/20 0.39
ADORA1 P30542 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
CYP1A2 P05177 1/20 0.38
LMNA P02545 1/20 0.37
SOAT1 P35610 1/20 0.36

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
SCHEMBL3853840 0.86 MGAM (0.50) MGAMGAASIMGAM2ALDH1A1
SCHEMBL9743315 0.86 MGAM (0.50) MGAMGAASIMGAM2ALDH1A1
SCHEMBL1427228 0.86 MGAM (0.50) MGAMGAASIMGAM2ALDH1A1
SCHEMBL1258369 0.86 GAA (0.55) MGAMGAASIMGAM2ALDH1A1
SCHEMBL27331577 0.85 MGAM (0.44) MGAMGAASIMGAM2ALDH1A1
SCHEMBL28291075 0.83 MGAM (0.39) MGAMGAASIMGAM2ALDH1A1
SCHEMBL13286122 0.81 MGAM (0.44) MGAMGAASIMGAM2ALDH1A1
SCHEMBL28479435 0.81 ALOX15 (0.44) MGAMGAASIMGAM2ALDH1A1
SCHEMBL28479433 0.81 ALOX15 (0.44) MGAMGAASIMGAM2ALDH1A1
SCHEMBL3064783 0.80 MGAM (0.48) MGAMGAASIMGAM2ALDH1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105722829-B The method of regio-selective synthesis pyrazoles 伊萨格洛公司 2019-09-06 CN disclosed
CN-104945325-B A kind of preparation method of pyrazole carboxylic acid derivant 浙江永太科技股份有限公司 2017-04-05 CN disclosed
CN-104945387-B Intermediate for preparing pyrazol formic acid derivative 浙江永太科技股份有限公司 2017-03-22 CN disclosed
CN-106458803-A Improved process for preparing substituted crotonic acids 英特维特国际股份有限公司 2017-02-22 CN disclosed
CN-101506173-B Process for preparing 3-dihalomethylpyrazole-4-carboxylic acid derivatives BAYER CROPSCIENCE AG 2012-05-30 CN disclosed
CN-102099343-A Process for preparing 1, 3-disubstituted pyrazole carboxylic esters BASF SE 2011-06-15 CN disclosed
CN-101959840-A Process for preparing alkyl 2-alkoxymethylene-4,4-difluoro-3-oxobutyrates BASF SE 2011-01-26 CN disclosed
CN-101506173-A Process for preparing 3-dihalomethylpyrazole-4-carboxylic acid derivatives BAYER CROPSCIENCE AG (DE) 2009-08-12 CN disclosed