Trifluoromethanesulfonic Acid

Trifluoromethanesulfonic Acid

SCHEMBL4869774

CCCCc1ccc(N(c2ccc(C=Cc3ccc(N(c4ccc(CCCC)cc4)c4cccc(SCCc5ccccc5)c4)cc3)cc2)c2cccc(SCCc3ccccc3)c2)cc1.O=S(=O)(O)C(F)(F)F

nearest known ligand 0.38

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.34
CNR2 P34972 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA3 P07451 2/20 0.33
CA6 P23280 2/20 0.33
CA5A P35218 2/20 0.33
CA7 P43166 2/20 0.33
CA9 Q16790 2/20 0.33
CA13 Q8N1Q1 2/20 0.33
CA14 Q9ULX7 2/20 0.33
CA5B Q9Y2D0 2/20 0.33
CDC25B P30305 2/20 0.33
DUSP3 P51452 2/20 0.33
NR1H2 P55055 1/20 0.33
CA4 P22748 1/20 0.33
AKR1C3 P42330 1/20 0.33

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
SCHEMBL4940430 0.89 BCHE (0.37) HDAC1AKR1C3TRPA1TRPM2PLA2G1B
SCHEMBL4864686 0.82 INSR (0.37) TRPA1TRPM2PLA2G1BTRPM8CYSLTR2
SCHEMBL3408112 0.82 INSR (0.37) TRPA1TRPM2PLA2G1BTRPM8CYSLTR2
Trifluoromethanesulfonic Acid SCHEMBL4870182 0.81 HPGD (0.33) CA2CDC25BDUSP3NR1H2TRPA1
SCHEMBL4940413 0.80 BCHE (0.33) HDAC1CNR2CDC25BDUSP3LTB4R
SCHEMBL4862718 0.76 CYP3A4 (0.36) CA1CA2
SCHEMBL4862712 0.76 CYP3A4 (0.36) CA1CA2
SCHEMBL3373785 0.76 KCNH2 (0.35) CNR2LTB4R
Trifluoromethanesulfonic Acid SCHEMBL3370751 0.76 CYSLTR2 (0.33) NR1H2CYSLTR2CYSLTR1
SCHEMBL3375843 0.75 BCHE (0.40) CNR2

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