SCHEMBL7784553

SCHEMBL7784553

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

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL29901369 0.74 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL7600436 0.72 ALDH1A1 (0.34) ALDH1A1TSHR
SCHEMBL11064383 0.71 TSHR (0.36) ALDH1A1TSHR
SCHEMBL27585279 0.69 MMP1 (0.39) ALDH1A1TSHR
SCHEMBL8940604 0.68 ALDH1A1 (0.32) ALDH1A1TSHR
SCHEMBL7600439 0.68 GRIK1 (0.33) ALDH1A1TSHR
SCHEMBL1801980 0.67
SCHEMBL6997088 0.67 ALDH1A1 (0.33) ALDH1A1TSHR
SCHEMBL88776 0.67 ALDH1A1 (0.33) ALDH1A1TSHR
SCHEMBL4682325 0.67 ALDH1A1 (0.33) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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