SCHEMBL7784551

SCHEMBL7784551

C=CCC(C(=O)O)C(CC=C)(OC)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.32
GRIK2 Q13002 2/20 0.32
CYP2C19 P33261 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
CPA1 P15085 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
SCHEMBL5707274 0.75
SCHEMBL7600439 0.71 GRIK1 (0.33) GRIK1GRIK2CYP2C19ALDH1A1TSHR
SCHEMBL8731754 0.71 GRIK1 (0.37) GRIK1GRIK2CYP2C19CPA1
SCHEMBL5420620 0.70 GRIK1 (0.39) GRIK1GRIK2CYP2C19TSHRCPA1
SCHEMBL17757012 0.70 GRIK1 (0.39) GRIK1GRIK2CYP2C19TSHRCPA1
SCHEMBL9785440 0.70 GRIK1 (0.39) GRIK1GRIK2CYP2C19TSHRCPA1
SCHEMBL4562097 0.69 GRIK1 (0.36) GRIK1GRIK2CYP2C19ALDH1A1TSHR
SCHEMBL11000169 0.69 GRIK1 (0.36) GRIK1GRIK2CYP2C19ALDH1A1TSHR
SCHEMBL661884 0.69 GRIK1 (0.33) GRIK1GRIK2CYP2C19ALDH1A1TSHR
SCHEMBL4682329 0.68 GRIK1 (0.33) GRIK1GRIK2CYP2C19ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0433260-B1 Process for preparing butanetetracarboxylate MONSANTO CO (US) 1998-03-18 EP claimed
EP-0816533-B1 Process for preparing butanetetracarboxylic acid SOLUTIA INC (US) 2001-10-17 EP disclosed
EP-0433260-B1 Process for preparing butanetetracarboxylate MONSANTO CO (US) 1998-03-18 EP disclosed
EP-0816533-A2 Process for preparing butanetetracarboxylic acid MONSANTO COMPANY (US) 1998-01-07 EP disclosed
US-5248396-A Hydrodimerization of dialkyl maleate MONSANTO COMPANY (US) 1993-09-28 US disclosed
US-5244546-A Process for preparing tetraalkyl butanetetracarboxylates MONSANTO COMPANY (US) 1993-09-14 US disclosed
EP-0433260-A2 Process for preparing butanetetracarboxylic acid MONSANTO COMPANY (US) 1991-06-19 EP disclosed