SCHEMBL6722981

SCHEMBL6722981

CCCCS(CCCC)(CC(=O)C(C)(C)C)OS(=O)(=O)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FAAH O00519 11/20 0.40
CES1 P23141 9/20 0.40
CES2 O00748 6/20 0.40
HSD11B1 P28845 1/20 0.34
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 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
SCHEMBL6728060 0.85 HSD11B1 (0.39) FAAHCES1CES2HSD11B1
SCHEMBL6728101 0.85 CES1 (0.35) FAAHCES1CES2
SCHEMBL6550727 0.84 FAAH (0.38) FAAHCES1CES2MEN1CYP1A2
SCHEMBL6735906 0.84 FAAH (0.35) FAAHCES1CES2
SCHEMBL6550324 0.83 CES1 (0.37) FAAHCES1CES2HSD11B1
SCHEMBL7163936 0.83 FAAH (0.36) FAAHCES1CES2HSD11B1
SCHEMBL6551263 0.82 FAAH (0.36) FAAHCES1CES2MEN1CYP1A2
SCHEMBL6550759 0.82 FAAH (0.36) FAAHCES1CES2MEN1CYP1A2
SCHEMBL6549520 0.81 FAAH (0.39) FAAHCES1CES2MEN1CYP1A2
SCHEMBL6549745 0.81 CES1 (0.36) FAAHCES1CES2

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
US-6818379-B2 SULFONIUM SALT REPRESENTED BY THE FOLLOWING FORMULA (I): WHEREIN Q1, Q2 AND Q3 EACH INDEPENDENTLY REPRESENT HYDROGEN, HYDROXY, ALKYL HAVING 1 TO 6 CARBON ATOMS, OR ALKOXY HAVING 1 TO 6 CARBON ATOMS, BUT ALL OF Q1, Q2 AND Q3 ARE NOT THE SAME; SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-11-16 US disclosed
US-20040224251-A1 Positive resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-11-11 US disclosed
US-20030148211-A1 Sulfonium salt and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-08-07 US disclosed
US-6548220-B2 Containing acid generator SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-04-15 US disclosed