Trifluoromethanesulfonic Acid

Trifluoromethanesulfonic Acid

SCHEMBL11060910

CCOc1cc(Oc2ccc(Cl)cc2)c(OCC)cc1[N+]#N.O=S(=O)([O-])C(F)(F)F

nearest known ligand 0.38

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.38
PTGS2 P35354 2/20 0.38
MAPT P10636 5/20 0.38
BRD4 O60885 1/20 0.37
LMNA P02545 4/20 0.35
NPSR1 Q6W5P4 2/20 0.35
HTT P42858 2/20 0.35
HTR2A P28223 1/20 0.35
SLC6A4 P31645 1/20 0.35
KCNH2 Q12809 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
ATM Q13315 1/20 0.34
AR P10275 2/20 0.34
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL11064731 0.88 MAPT (0.47) MAPTBRD4LMNAHTR2ASLC6A4
Hydrochloric Acid SCHEMBL11879728 0.87 MAPT (0.46) PTGS1PTGS2MAPTBRD4LMNA
Sulfuric Acid SCHEMBL5676614 0.81 LTA4H (0.41) PTGS1PTGS2MAPTBRD4LMNA
Sulfuric Acid SCHEMBL5676625 0.79 NTRK1 (0.39) PTGS2MAPTBRD4LMNAHTT
Trifluoromethanesulfonic Acid SCHEMBL11061865 0.77 PTGS2 (0.40) PTGS1PTGS2MAPTLMNANPSR1
Sulfuric Acid SCHEMBL5676621 0.76 LTA4H (0.41) BRD4LMNANPSR1L3MBTL1AR
Hydrochloric Acid SCHEMBL3798277 0.73 LTA4H (0.46) SLC6A4L3MBTL1ARALDH1A1GAA
Trifluoromethanesulfonic Acid SCHEMBL11086410 0.73 TSHR (0.41) LMNANPSR1HTTALDH1A1TP53
Trifluoromethanesulfonic Acid SCHEMBL11071110 0.72 PTGS1 (0.34) PTGS1PTGS2MAPTLMNANPSR1
Trifluoromethanesulfonic Acid SCHEMBL11085448 0.72 PTPN1 (0.40) PTGS1PTGS2MAPTNPSR1HTT

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