SCHEMBL9305262

SCHEMBL9305262

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

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 14/20 0.62
GRM3 Q14832 2/20 0.54
NAALAD2 Q9Y3Q0 1/20 0.54
CPA3 P15088 1/20 0.48

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
SCHEMBL28441117 0.84 CHRM1 (0.46) FOLH1GRM3NAALAD2
SCHEMBL108166 0.84 FOLH1 (0.76) FOLH1GRM3NAALAD2
SCHEMBL27670418 0.83 FOLH1 (0.43) FOLH1GRM3NAALAD2
SCHEMBL29060942 0.81 FOLH1 (0.73) FOLH1GRM3NAALAD2
SCHEMBL27996973 0.81 FOLH1 (0.73) FOLH1GRM3NAALAD2
SCHEMBL13726298 0.81 FOLH1 (0.73) FOLH1GRM3NAALAD2
SCHEMBL5678319 0.79
SCHEMBL6721744 0.78
SCHEMBL107884 0.77 FOLH1 (0.65) FOLH1GRM3NAALAD2
SCHEMBL28640 0.77 FOLH1 (1.00) FOLH1GRM3NAALAD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5347008-A Thio(cyclo) alkanepolycarboxylic acids containing heterocyclic substituents CIBA-GEIGY CORPORATION (US) 1994-09-13 US disclosed
US-5152929-A Corrosion inhibitors for water systems CIBA-GEIGY CORPORATION (US) 1992-10-06 US disclosed
EP-0129506-B1 HETEROCYCLICALLY SUBSTITUTED THIO(CYCLO)ALKANE POLYCARBOXYLIC ACIDS CIBA-GEIGY AG (CH) 1991-03-06 EP disclosed
EP-0129506-A2 Heterocyclically substituted thio(cyclo)alkane polycarboxylic acids CIBA-GEIGY AG (CH) 1984-12-27 EP disclosed