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Trifluoromethanesulfonic Acid

Trifluoromethanesulfonic Acid

SCHEMBL4946534

CCCCc1ccc(N(c2ccc(C=Cc3ccc(N(c4ccc(CCCC)cc4)c4cccc([S+](C)Cc5ccccc5)c4)cc3)cc2)c2cccc(-c3cccc(CCS)c3)c2)cc1.O=S(=O)(O)C(F)(F)F.O=S(=O)([O-])C(F)(F)F

nearest known ligand 0.33

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Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CDC25B P30305 2/20 0.32
▸ DUSP3 P51452 2/20 0.32
▸ STAT3 P40763 1/20 0.31
▸ CNR2 P34972 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
Trifluoromethanesulfonic Acid SCHEMBL4870182 0.79 HPGD (0.33) CDC25BDUSP3
Trifluoromethanesulfonic Acid SCHEMBL4870192 0.79 KCNH2 (0.38) CDC25BDUSP3CNR2
Trifluoromethanesulfonic Acid SCHEMBL4870169 0.79 KCNH2 (0.38) CDC25BDUSP3CNR2
Trifluoromethanesulfonic Acid SCHEMBL3372701 0.77 PTPN1 (0.35) CNR2
Trifluoromethanesulfonic Acid SCHEMBL3370751 0.75 CYSLTR2 (0.33) —
Trifluoromethanesulfonic Acid SCHEMBL3370747 0.75 KCNH2 (0.33) —
Trifluoromethanesulfonic Acid SCHEMBL3370743 0.75 KCNH2 (0.33) —
SCHEMBL4940413 0.73 BCHE (0.33) CDC25BDUSP3CNR2
Trifluoromethanesulfonic Acid SCHEMBL4869774 0.73 HDAC1 (0.34) CDC25BDUSP3CNR2
SCHEMBL4940408 0.73 BCHE (0.33) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1390664-A4 MATERIALS, METHODS, AND USES FOR PHOTOCHEMICAL GENERATION OF ACIDS AND/OR RADICAL SPECIES UNIV ARIZONA (US) 2008-01-02 — — EP disclosed
EP-1390664-A1 MATERIALS, METHODS, AND USES FOR PHOTOCHEMICAL GENERATION OF ACIDS AND/OR RADICAL SPECIES The Arizona Board of Regents (US) 2004-02-25 — — EP disclosed
WO-2002079691-A1 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) 2002-10-10 — — WO disclosed