Trifluoromethanesulfonic Acid

Trifluoromethanesulfonic Acid

SCHEMBL11064735

COc1ccccc1[N+]#N.O=S(=O)([O-])C(F)(F)F

nearest known ligand 0.41

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.41
ACHE P22303 8/20 0.40
GPR3 P46089 2/20 0.39
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA12 O43570 1/20 0.36
CA4 P22748 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
HTR6 P50406 1/20 0.36
GAA P10253 1/20 0.35
KCNH2 Q12809 1/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
ABCC9 O60706 1/20 0.34
ABCC8 Q09428 1/20 0.34
KCNJ11 Q14654 1/20 0.34

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
Sulfuric Acid SCHEMBL27905058 0.89 CA1 (0.43) ACHEPTGS1CA1CA2CA12
Sulfuric Acid SCHEMBL27904947 0.87 CA1 (0.41) ACHEPTGS1CA1CA2CA12
Sulfuric Acid SCHEMBL27905057 0.82 CA1 (0.43) ACHECA1CA2CA12CA4
SCHEMBL2875595 0.81 CA1 (0.55) PTGS1CA1CA2CA12CA4
Trifluoromethanesulfonic Acid SCHEMBL11061442 0.81 KCNH2 (0.40) CA1CA2CA12CA7CA9
Hydrochloric Acid SCHEMBL8501240 0.79 CA1 (0.52) PTGS1CA1CA2CA12CA4
SCHEMBL10935641 0.79 CA1 (0.52) PTGS1CA1CA2CA12CA4
Trifluoromethanesulfonic Acid SCHEMBL11060685 0.79 PPARG (0.41) PTGS1PTGS2CA12CA9ABCC9
SCHEMBL11391039 0.78 CA1 (0.43) PTGS1CA1CA2CA12CA4
SCHEMBL10878789 0.78 CA1 (0.43) PTGS1CA1CA2CA12CA4

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-4482489-A USEFUL IN DIAZOTYPE SYSTEMS AND AS LATENT POLYMERIZATION INITIATORS JAMES RIVER GRAPHICS, INC. (US) 1984-11-13 US claimed
US-4482489-A USEFUL IN DIAZOTYPE SYSTEMS AND AS LATENT POLYMERIZATION INITIATORS JAMES RIVER GRAPHICS, INC. (US) 1984-11-13 US disclosed