SCHEMBL3132979

SCHEMBL3132979

Cc1ccc([S+](c2ccccc2)c2ccc(C)cc2)cc1.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 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 12/20 0.35
CA2 P00918 12/20 0.35
GPR3 P46089 1/20 0.35
CA9 Q16790 3/20 0.33
MMP1 P03956 3/20 0.33
MMP2 P08253 3/20 0.33
MMP9 P14780 3/20 0.33
MMP8 P22894 3/20 0.33
MMP13 P45452 3/20 0.33
CA12 O43570 2/20 0.33
KCNH2 Q12809 1/20 0.32
FFAR1 O14842 1/20 0.32
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CDK7 P50613 1/20 0.32
CCNH P51946 1/20 0.32
CCNA1 P78396 1/20 0.32
FFAR4 Q5NUL3 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
SCHEMBL546898 1.00 CA1 (0.35) CA1CA2GPR3CA9MMP1
SCHEMBL1089841 1.00 CA1 (0.35) CA1CA2GPR3CA9MMP1
SCHEMBL3132822 1.00 CA1 (0.35) CA1CA2GPR3CA9MMP1
SCHEMBL3129912 0.99 GPR3 (0.35) CA1CA2GPR3CA9MMP1
SCHEMBL219925 0.99 GPR3 (0.35) CA1CA2GPR3CA9MMP1
SCHEMBL1593707 0.94 GPR3 (0.36) CA1CA2GPR3CA9CA12
SCHEMBL562807 0.94 CA2 (0.36) CA1CA2CA9MMP1MMP2
SCHEMBL271338 0.93 TLR9 (0.35) CA1CA2GPR3CA9MMP1
SCHEMBL4535202 0.91 CA2 (0.39) CA1CA2GPR3MMP1MMP2
Perflubutane SCHEMBL6325042 0.91 CA2 (0.39) CA1CA2GPR3MMP1MMP2

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