Trifluoromethanesulfonic Acid

Trifluoromethanesulfonic Acid

SCHEMBL11061865

CCOc1ccc(-c2cc(OCC)c([N+]#N)cc2OCC)cc1.O=S(=O)([O-])C(F)(F)F

nearest known ligand 0.40

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.40
PTGS1 P23219 1/20 0.40
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
KMT2A Q03164 3/20 0.36
MAPT P10636 3/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MEN1 O00255 2/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
SCN9A Q15858 1/20 0.35
GAA P10253 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 SCHEMBL5679930 0.93 CA12 (0.41) PTGS2PTGS1CA12CA1CA2
Sulfuric Acid SCHEMBL5679940 0.90 CA12 (0.39) PTGS2PTGS1CA12CA1CA2
Sulfuric Acid SCHEMBL5679936 0.88 ALDH1A1 (0.40) CA12CA1CA2CA7CA9
SCHEMBL8974916 0.87 NQO1 (0.44) KMT2AMAPTLMNAMEN1TSHR
Hydrochloric Acid SCHEMBL3805858 0.86 NQO1 (0.42) KMT2AMAPTMEN1TSHRALDH1A1
Trifluoromethanesulfonic Acid SCHEMBL11063718 0.78 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL8988230 0.78 ADORA3 (0.41) KMT2AMAPTLMNAHTTNPSR1
Trifluoromethanesulfonic Acid SCHEMBL11064376 0.77 KCNH2 (0.36) PTGS2PTGS1KMT2AMAPTMEN1
Trifluoromethanesulfonic Acid SCHEMBL11060910 0.77 PTGS1 (0.38) PTGS2PTGS1KMT2AMAPTLMNA
Trifluoromethanesulfonic Acid SCHEMBL11086410 0.77 TSHR (0.41) CA1CA2CA7CA9KMT2A

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 1 patent. 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 disclosed