SCHEMBL16429595

SCHEMBL16429595

C=CCC(C)C(O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.39
GRIK2 Q13002 2/20 0.39
TSHR P16473 2/20 0.39
CYP2C19 P33261 1/20 0.38
CPA1 P15085 1/20 0.38
TP53 P04637 1/20 0.38
ALDH1A1 P00352 2/20 0.33
CYP2C9 P11712 1/20 0.32
PDE4A P27815 1/20 0.32
ABCC4 O15439 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL21930777 0.79 GRIK1 (0.41) GRIK1GRIK2TSHRCYP2C19CPA1
SCHEMBL6076196 0.79 GRIK1 (0.41) GRIK1GRIK2TSHRCYP2C19CPA1
SCHEMBL11899857 0.76 GRIK1 (0.47) GRIK1GRIK2TSHRCYP2C19CPA1
SCHEMBL22367642 0.76 GRIK1 (0.38) GRIK1GRIK2CYP2C19CPA1TP53
SCHEMBL11898501 0.76 GRIK1 (0.47) GRIK1GRIK2TSHRCYP2C19CPA1
SCHEMBL1802323 0.76 GRIK1 (0.47) GRIK1GRIK2TSHRCYP2C19CPA1
SCHEMBL1802717 0.76 GRIK1 (0.47) GRIK1GRIK2TSHRCYP2C19CPA1
SCHEMBL11899280 0.76 GRIK1 (0.47) GRIK1GRIK2TSHRCYP2C19CPA1
SCHEMBL112335 0.75 GRIK1 (0.39) GRIK1GRIK2TSHRCYP2C19CPA1
SCHEMBL7421629 0.74 TSHR (0.41) GRIK1GRIK2TSHRCYP2C19CPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3027695-B1 AQUEOUS CLEANING COMPOSITIONS INCLUDING AN ALKYL 3-HYDROXYBUTYRATE EASTMAN CHEM CO (US) 2019-05-08 EP disclosed
US-9506017-B2 Aqueous cleaning compositions including an alkyl 3-hydroxybutyrate EASTMAN CHEMICAL COMPANY (US) 2016-11-29 US disclosed
EP-3027695-A1 AQUEOUS CLEANING COMPOSITIONS INCLUDING AN ALKYL 3-HYDROXYBUTYRATE Eastman Chemical Company (US) 2016-06-08 EP disclosed
US-9255241-B2 Aqueous cleaning compositions including an alkyl 3-hydroxybutyrate EASTMAN CHEMICAL COMPANY (US) 2016-02-09 US disclosed
US-9163202-B2 Aqueous cleaning compositions including an alkyl 3-hydroxybutyrate EASTMAN CHEMICAL COMPANY (US) 2015-10-20 US disclosed
US-20150225676-A1 AQUEOUS CLEANING COMPOSITIONS INCLUDING AN ALKYL 3-HYDROXYBUTYRATE EASTMAN CHEMICAL COMPANY 2015-08-13 US disclosed
US-20150218490-A1 AQUEOUS CLEANING COMPOSITIONS INCLUDING AN ALKYL 3-HYDROXYBUTYRATE EASTMAN CHEMICAL COMPANY 2015-08-06 US disclosed
US-20150038389-A1 AQUEOUS CLEANING COMPOSITIONS INCLUDING AN ALKYL 3-HYDROXYBUTYRATE EASTMAN CHEMICAL COMPANY (US) 2015-02-05 US disclosed
WO-2015017175-A1 AQUEOUS CLEANING COMPOSITIONS INCLUDING AN ALKYL 3-HYDROXYBUTYRATE EASTMAN CHEMICAL COMPANY (US) 2015-02-05 WO disclosed