SCHEMBL6697947

SCHEMBL6697947

CCCC(C)(C[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
SMPD1 P17405 2/20 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
SCHEMBL7208357 0.97
SCHEMBL6709822 0.84 GRM4 (0.33) SMPD1
SCHEMBL7210996 0.83
SCHEMBL6502059 0.83 GRM4 (0.32) SMPD1
SCHEMBL6505637 0.80 GRM4 (0.31)
SCHEMBL7122348 0.80
SCHEMBL6690646 0.80 SMPD1 (0.33) SMPD1
SCHEMBL6698353 0.79 GRM4 (0.30)
SCHEMBL6708693 0.77 SMPD1 (0.30) SMPD1
SCHEMBL6694650 0.76 SMPD1 (0.31) SMPD1

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
JP-2004531459-A 2004-10-14 JP claimed
EP-1366024-A2 SULFOXIDE AND BIS-SULFOXIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES Esperion Therapeutics Inc. (US) 2003-12-03 EP claimed
WO-2002030882-A9 SULFOXIDE AND BIS-SULFOXIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS INC (US) 2003-02-20 WO claimed
WO-2002030882-A2 SULFOXIDE AND BIS-SULFOXIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2002-04-18 WO claimed