Trifluoromethanesulfonic Acid

Trifluoromethanesulfonic Acid

SCHEMBL4870182

CCCCc1ccc(N(c2ccc(C=Cc3ccc(N(c4ccc(CCCC)cc4)c4cccc([S+](C)C)c4)cc3)cc2)c2cccc([S+](C)C)c2)cc1.O=S(=O)(O)C(F)(F)F

nearest known ligand 0.36

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.33
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
GALR3 O60755 1/20 0.32
RAB9A P51151 1/20 0.32
SPHK1 Q9NYA1 1/20 0.32
NR1H2 P55055 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CDC25B P30305 2/20 0.32
DUSP3 P51452 2/20 0.32
CA2 P00918 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TRPV1 Q8NER1 2/20 0.32
FAAH O00519 1/20 0.31
TRPA1 O75762 1/20 0.31
TRPM2 O94759 1/20 0.31
PLA2G1B P04054 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31

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
Trifluoromethanesulfonic Acid SCHEMBL3370751 0.92 CYSLTR2 (0.33) NR1H2CYSLTR2CYSLTR1
Trifluoromethanesulfonic Acid SCHEMBL4870192 0.92 KCNH2 (0.38) HPGDCDC25BDUSP3CA2SMN1; SMN2
Trifluoromethanesulfonic Acid SCHEMBL4870169 0.92 KCNH2 (0.38) HPGDCDC25BDUSP3CA2SMN1; SMN2
Trifluoromethanesulfonic Acid SCHEMBL3375475 0.87 RELA (0.34) HPGDNPC1RAB9ASMN1; SMN2TRPM8
Trifluoromethanesulfonic Acid SCHEMBL3370747 0.85 KCNH2 (0.33) CYSLTR2CYSLTR1
Trifluoromethanesulfonic Acid SCHEMBL3370743 0.85 KCNH2 (0.33) CYSLTR2CYSLTR1
SCHEMBL4940382 0.82 SPHK1 (0.32) SPHK1CYP3A4CYP2D6CYP2C9CA2
Trifluoromethanesulfonic Acid SCHEMBL4869774 0.81 HDAC1 (0.34) NR1H2CDC25BDUSP3CA2TRPA1
SCHEMBL14488416 0.80 APP (0.33) SPHK1CYP3A4CYP2D6CYP2C9TRPV1
Trifluoromethanesulfonic Acid SCHEMBL4946534 0.79 CDC25B (0.32) CDC25BDUSP3

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
US-7459106-B2 Materials, methods, and uses for photochemical generation of acids and/or radical species THE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2008-12-02 US disclosed
US-20050173683-A1 Materials, methods, and uses for photochemical generation of acids and/or radical species THE ARIZ BD OF REGENTS ON BEHALF OF THE UNIV OF AZ (US) 2005-08-11 US disclosed