SCHEMBL6532042

SCHEMBL6532042

CCCC(C)(CSCCCSCCCC(C)(C)OP(N)(=O)O)OP(N)(=O)O

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 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
SCHEMBL6344061 0.86 GRM4 (0.34) SMPD1
SCHEMBL6511085 0.85
SCHEMBL6354715 0.84 GRM4 (0.35) SMPD1
SCHEMBL7631051 0.80 GRM4 (0.32) SMPD1
SCHEMBL6346655 0.80 SMPD1 (0.32) SMPD1
SCHEMBL6346290 0.80 SMPD1 (0.35) SMPD1
SCHEMBL7204132 0.76
SCHEMBL6352923 0.76 SMPD1 (0.33) SMPD1
SCHEMBL6695749 0.75 BHMT (0.31)
SCHEMBL6356292 0.73 SMPD1 (0.38) 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-2004532799-A 2004-10-28 JP claimed
EP-1363879-A2 SULFIDE AND DISULFIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES Esperion Therapeutics Inc. (US) 2003-11-26 EP claimed
WO-2002030884-A2 SULFIDE AND DISULFIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2002-04-18 WO claimed
WO-2005068418-A1 SULFIDE AND DISULFIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2005-07-28 WO disclosed