SCHEMBL6898367

SCHEMBL6898367

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

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 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
SCHEMBL6699834 0.89 SMPD1 (0.36) SMPD1
SCHEMBL6503075 0.89 SMPD1 (0.30) SMPD1
SCHEMBL12953253 0.84 SMPD1 (0.39) SMPD1
SCHEMBL6503879 0.83 SMPD1 (0.40) SMPD1
SCHEMBL7169209 0.83 SMPD1 (0.36) SMPD1
SCHEMBL7055514 0.82
SCHEMBL6504573 0.82 SMPD1 (0.42) SMPD1
SCHEMBL7210763 0.78 SMPD1 (0.39) SMPD1
SCHEMBL6502059 0.77 GRM4 (0.32) SMPD1
SCHEMBL7210769 0.77 SMPD1 (0.32) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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