SCHEMBL22639008

SCHEMBL22639008

CC(C(=O)O)(c1cccc(O)c1)P(=O)(O)O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 3/20 0.41
PGK2 P07205 3/20 0.41
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
PTPN1 P18031 2/20 0.39
PTPN5 P54829 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA6 P23280 1/20 0.39
CA9 Q16790 1/20 0.39
CYP3A4 P08684 1/20 0.39
PTPRC P08575 1/20 0.38
KIF11 P52732 2/20 0.38
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
KDM4E B2RXH2 1/20 0.36
EGLN2 Q96KS0 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
SCHEMBL26629506 0.77 HSD17B1 (0.49) HSD17B1HSD17B2CA12CA1CA2
SCHEMBL7072176 0.77 CA12 (0.45) HSD17B1HSD17B2CA12CA1CA2
SCHEMBL1643008 0.77 HSD17B1 (0.53) HSD17B1HSD17B2CA12CA1CA2
SCHEMBL16060086 0.75 HSD17B1 (0.44) HSD17B1HSD17B2CA12CA1CA2
SCHEMBL31092504 0.74 HSD17B1 (0.43) HSD17B1HSD17B2CA12CA1CA2
SCHEMBL27965752 0.74 HDAC3 (0.47) HSD17B1HSD17B2CA12CA1CA2
SCHEMBL4214693 0.72 CA12 (0.48) HSD17B1HSD17B2CA12CA1CA2
SCHEMBL28371406 0.72 CA12 (0.48) HSD17B1HSD17B2CA12CA1CA2
SCHEMBL29475143 0.72 LMNA (0.50) CYP3A4
SCHEMBL5383257 0.71 CYP3A4 (0.43) HSD17B1HSD17B2CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112300675-A Heat-conducting anticorrosive paint for inner wall of pipeline 安徽海东环保科技有限公司 2021-02-02 CN claimed
WO-2020224377-A1 FLAME-RETARDANT SEMI-AROMATIC POLYAMIDE AND PREPARATION METHOD THEREFOR 金发科技股份有限公司 2020-11-12 WO claimed
CN-102719096-B Resin composition and preparation method thereof CCL PLANT GUANGDONG SHANTOU ULTRASONIC ELECTRONIC CO LTD 2014-06-11 CN claimed
CN-102719096-A Resin composition and preparation method thereof CCL PLANT GUANGDONG SHANTOU ULTRASONIC ELECTRONIC CO LTD 2012-10-10 CN claimed
WO-2023087996-A1 COMPOSITE FLAME-RETARDANT MATERIAL AND PREPARATION METHOD THEREFOR, SEPARATOR, NEGATIVE ELECTRODE PLATE, SECONDARY BATTERY, AND ELECTRIC DEVICE 宁德时代新能源科技股份有限公司 2023-05-25 WO disclosed
CN-112300675-A Heat-conducting anticorrosive paint for inner wall of pipeline 安徽海东环保科技有限公司 2021-02-02 CN disclosed
CN-112300675-A Heat-conducting anticorrosive paint for inner wall of pipeline 安徽海东环保科技有限公司 2021-02-02 CN disclosed
CN-110218311-B Flame-retardant semi-aromatic polyamide and preparation method thereof 金发科技股份有限公司 2021-01-12 CN disclosed
WO-2020224378-A1 FLAME-RETARDANT SEMI-AROMATIC POLYAMIDE AND PREPARATION METHOD THEREFOR 金发科技股份有限公司 2020-11-12 WO disclosed
WO-2020224377-A1 FLAME-RETARDANT SEMI-AROMATIC POLYAMIDE AND PREPARATION METHOD THEREFOR 金发科技股份有限公司 2020-11-12 WO disclosed
CN-102719096-B Resin composition and preparation method thereof CCL PLANT GUANGDONG SHANTOU ULTRASONIC ELECTRONIC CO LTD 2014-06-11 CN disclosed
CN-102719096-A Resin composition and preparation method thereof CCL PLANT GUANGDONG SHANTOU ULTRASONIC ELECTRONIC CO LTD 2012-10-10 CN disclosed