SCHEMBL3260155

SCHEMBL3260155

CCCCOc1ccccc1[S+](c1ccccc1)c1ccccc1.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.36
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
RXFP1 Q9HBX9 1/20 0.32
CA1 P00915 3/20 0.31
CA2 P00918 3/20 0.31
HIF1A Q16665 1/20 0.31
GAA P10253 2/20 0.31
CYP19A1 P11511 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
WDR5 P61964 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
KCNH2 Q12809 6/20 0.31
ALDH1A1 P00352 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
CA12 O43570 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
SCHEMBL3136335 1.00 PTGDR2 (0.36) PTGDR2CYP1A2CYP2C9CYP2C19RXFP1
SCHEMBL2634332 0.99 PTGDR2 (0.37) PTGDR2CYP1A2CYP2C9CYP2C19RXFP1
Trifluoromethanesulfonic Acid SCHEMBL3130512 0.88 PTGDR2 (0.41) PTGDR2CYP1A2CYP2C9CYP2C19RXFP1
SCHEMBL3130567 0.86 TSHR (0.40) CYP1A2CYP2C9CYP2C19CA1CA2
SCHEMBL3126062 0.86 TSHR (0.40) CYP1A2CYP2C9CYP2C19CA1CA2
SCHEMBL3782546 0.85
SCHEMBL4999349 0.85
SCHEMBL3104515 0.84 TSHR (0.41) CYP1A2CYP2C9CYP2C19CA1CA2
SCHEMBL5849584 0.83 HTR6 (0.33) CA1CA2ALDH1A1KMT2A
SCHEMBL7213391 0.83 CYP1A2 (0.43) PTGDR2CYP1A2CYP2C9CYP2C19CA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1676835-B1 PROCESS FOR PRODUCING TRIARYLSULFONIUM SALT WAKO PURE CHEM IND LTD (JP) 2014-12-10 EP disclosed
US-7642368-B2 for use as acid generator in semiconductor manufacture; triarylsulfonium salt having a structure that only one aromatic ring of three is different, in a high yield and by-product inhibition; reacting a diaryl sulfoxide with an aryl Grignard reagent in presence of chlorotrialkylsilane and strong acid WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2010-01-05 US disclosed
EP-1676835-A1 PROCESS FOR PRODUCING TRIARYLSULFONIUM SALT Wako Pure Chemical Industries, Ltd. (JP) 2006-07-05 EP disclosed