Trifluoromethanesulfonic Acid

Trifluoromethanesulfonic Acid

SCHEMBL4870169

CCCCc1ccc(N(c2ccc(/C=C/c3ccc(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.O=S(=O)([O-])C(F)(F)F

nearest known ligand 0.38

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Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.38
CA2 P00918 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HPGD P15428 1/20 0.33
MLNR O43193 1/20 0.32
CNR2 P34972 1/20 0.32
CDC25B P30305 1/20 0.32
DUSP3 P51452 1/20 0.32
FFAR1 O14842 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
PDPK1 O15530 2/20 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 SCHEMBL4870192 1.00 KCNH2 (0.38) KCNH2CA2SMN1; SMN2HPGDMLNR
Trifluoromethanesulfonic Acid SCHEMBL3370743 0.92 KCNH2 (0.33) KCNH2
Trifluoromethanesulfonic Acid SCHEMBL3370747 0.92 KCNH2 (0.33) KCNH2
Trifluoromethanesulfonic Acid SCHEMBL4870182 0.92 HPGD (0.33) CA2SMN1; SMN2HPGDMLNRCDC25B
Trifluoromethanesulfonic Acid SCHEMBL3375471 0.87 NSD2 (0.35) KCNH2SMN1; SMN2HPGD
Trifluoromethanesulfonic Acid SCHEMBL3375473 0.87 NSD2 (0.35) KCNH2SMN1; SMN2HPGD
Trifluoromethanesulfonic Acid SCHEMBL3370751 0.85 CYSLTR2 (0.33)
SCHEMBL4940382 0.82 SPHK1 (0.32) CA2
SCHEMBL14488416 0.80 APP (0.33) MLNR
Trifluoromethanesulfonic Acid SCHEMBL4946534 0.79 CDC25B (0.32) CNR2CDC25BDUSP3

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