Trifluoromethanesulfonic Acid

Trifluoromethanesulfonic Acid

SCHEMBL3367202

O=S(=O)([O-])C(F)(F)F.O=c1ccc2cc([S+](c3ccccc3)c3ccccc3)ccc2o1

nearest known ligand 0.46

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 6/20 0.46
PKM P14618 4/20 0.44
DRD4 P21917 2/20 0.41
ACHE P22303 1/20 0.40
CA12 O43570 3/20 0.40
CA9 Q16790 3/20 0.40
MCL1 Q07820 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
LMNA P02545 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
SOST Q9BQB4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
ALDH1A1 P00352 1/20 0.39

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 SCHEMBL3521812 0.91 DRD4 (0.46) PGRPKMDRD4CA12CA9
Trifluoromethanesulfonic Acid SCHEMBL51470 0.81 GPR3 (0.39) CA12CA9CA1CA2LMNA
Trifluoromethanesulfonic Acid SCHEMBL3522448 0.81 PKM (0.43) PGRPKMDRD4CA12CA9
SCHEMBL3519463 0.80 DRD4 (0.41) PGRDRD4CA12CA9MCL1
Trifluoromethanesulfonic Acid SCHEMBL3517953 0.80 CA12 (0.44) PKMDRD4CA12CA9MCL1
SCHEMBL3524304 0.79 DRD4 (0.40) PGRPKMDRD4CA12CA9
SCHEMBL3524351 0.79 MAOB (0.42) PGRPKMDRD4CA12CA9
SCHEMBL3518008 0.78 MAOB (0.51) PGRPKMDRD4CA12CA9
SCHEMBL3525103 0.78 MAOB (0.41) PGRPKMDRD4CA12CA9
Trifluoromethanesulfonic Acid SCHEMBL6118365 0.78 GPR3 (0.48) ACHECA9CA1CA2CA5A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7833691-B2 Heterocycle-bearing onium salts WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2010-11-16 US disclosed
EP-1953149-B1 A heterocycle-containing onium salt WAKO PURE CHEM IND LTD (JP) 2010-10-06 EP disclosed
EP-1481973-B1 HETEROCYCLE-BEARING ONIUM SALTS WAKO PURE CHEM IND LTD (JP) 2008-12-31 EP disclosed
EP-1953149-A2 A heterocycle-containing onium salt Wako Pure Chemical Industries, Ltd. (JP) 2008-08-06 EP disclosed
US-20080161520-A1 Heterocycle-bearing onium salts WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2008-07-03 US disclosed
US-7318991-B2 Diphenylsulfonium compounds in which the S atom is additionally attached to a xanthene-9-onyl-2-yl- or coumarin-7-yl- ring; acid generator for a chemically amplified resist; photopolymerization initiator for polymerizing an epoxide or a vinyl ether WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2008-01-15 US disclosed
US-20050233253-A1 Diphenylsulfonium compounds in which the S atom is additionally attached to a xanthene-9-onyl-2-yl- or coumarin-7-yl- ring; acid generator for a chemically amplified resist; photopolymerization initiator for polymerizing an epoxide or a vinyl ether WAKO PURE CHEMICAL INDUSTRIES, LTD (JP) 2005-10-20 US disclosed
EP-1481973-A1 HETEROCYCLE-BEARING ONIUM SALTS Wako Pure Chemical Industries, Ltd. (JP) 2004-12-01 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050233253-A1 Diphenylsulfonium compounds in which the S atom is additionally attached to a xanthene-9-onyl-2-yl- or coumarin-7-yl- ring; acid generator for a chemically amplified resist; photopolymerization initiator for polymerizing an epoxide or a vinyl ether NOX4, CBR1, CBR3 PGR 306/4885PKM 3176/4885DRD4 1384/4885
US-20080161520-A1 Heterocycle-bearing onium salts MCM5, NIT2, PCNA PGR 1629/4885PKM 2709/4885DRD4 2345/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.