SCHEMBL6505637

SCHEMBL6505637

CC(C)(CCC[S+]([O-])CCCC(C)(C)OP(N)(=O)OC(C)(C)CCC[S+]([O-])CCCC(C)(C)OP(N)(=O)O)OP(N)(=O)O

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 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
SCHEMBL6698353 0.98 GRM4 (0.30) GRM4
SCHEMBL6694650 0.95 SMPD1 (0.31) GRM4
SCHEMBL6709822 0.95 GRM4 (0.33) GRM4
SCHEMBL6502059 0.94 GRM4 (0.32) GRM4
SCHEMBL6893072 0.92
SCHEMBL6690646 0.90 SMPD1 (0.33) GRM4
SCHEMBL6708693 0.87 SMPD1 (0.30)
SCHEMBL6699943 0.84
SCHEMBL6702353 0.83 GRM4 (0.31) GRM4
SCHEMBL7208357 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005047236-A1 SULFOXIDE AND BIS-SULFOXIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2005-05-26 WO disclosed
US-6673780-B2 SUCH AS 4-(4-(3-HYDROXY-3-METHYL-BUTANE-1-SULFINYLMETHYL)-PHENYLMETHANESULFINYL)-2 -METHYL-BUTAN1-OL FOR TREATING AND PREVENTING CARDIOVASCULAR DISEASES, DYSLIPIDEMIAS, DYSPROTEINEMIAS, AND GLUCOSE METABOLISM DISORDERS ESPERION THERAPEUTICS, INC. 2004-01-06 US disclosed
WO-2002030882-A9 SULFOXIDE AND BIS-SULFOXIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS INC (US) 2003-02-20 WO disclosed