SCHEMBL4091531

SCHEMBL4091531

CC1(C(=O)O)CCCC(C(=O)OC(=O)C2=C(C(=O)O)C(C)(C(=O)O)CCC2)=C1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KRAS P01116 1/20 0.35
FFAR3 O14843 1/20 0.30

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
SCHEMBL673146 0.85 KRAS (0.38) KRASFFAR3
SCHEMBL9251024 0.81 CYP1A2 (0.34)
SCHEMBL9004834 0.68 CYP1A2 (0.40) FFAR3
SCHEMBL10437018 0.68 CYP1A2 (0.43) KRASFFAR3
SCHEMBL20581854 0.67 KRAS (0.41) KRASFFAR3
SCHEMBL1399847 0.67 KRAS (0.41) KRASFFAR3
SCHEMBL252316 0.66 DHODH (0.38)
SCHEMBL2646143 0.66 SLC6A2 (0.37)
SCHEMBL1207568 0.66 SLC6A2 (0.37)
SCHEMBL17106259 0.64 KRAS (0.42) KRASFFAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2057203-A2 SILYLATED POLYURETHANE COMPOSITIONS AND ADHESIVES THEREFROM Momentive Performance Materials Inc. (US) 2009-05-13 EP disclosed
WO-2008027496-A2 SILYLATED POLYURETHANE COMPOSITIONS AND ADHESIVES THEREFROM MOMENTIVE PERFORMANCE MATERIALS INC. (US) 2008-03-06 WO disclosed