SCHEMBL7210769

SCHEMBL7210769

[CH2]CC[S+]([O-])CCC[S+]([O-])CCC(C)(C)OP(=O)(O)O

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.32

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
SCHEMBL7169209 0.92 SMPD1 (0.36) SMPD1
SCHEMBL7210763 0.86 SMPD1 (0.39) SMPD1
SCHEMBL6699834 0.85 SMPD1 (0.36) SMPD1
SCHEMBL6510545 0.85 SMPD1 (0.34) SMPD1
SCHEMBL6503075 0.82 SMPD1 (0.30) SMPD1
SCHEMBL6503879 0.82 SMPD1 (0.40) SMPD1
SCHEMBL6504573 0.81 SMPD1 (0.42) SMPD1
SCHEMBL6708693 0.80 SMPD1 (0.30) SMPD1
SCHEMBL6898367 0.77 SMPD1 (0.30) SMPD1
SCHEMBL6531141 0.76

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-1366024-A2 SULFOXIDE AND BIS-SULFOXIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES Esperion Therapeutics Inc. (US) 2003-12-03 EP disclosed
WO-2002030882-A2 SULFOXIDE AND BIS-SULFOXIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2002-04-18 WO disclosed