Trifluoromethanesulfonic Acid

Trifluoromethanesulfonic Acid

SCHEMBL6202816

COc1ccc2c(c1)c(C(=O)Oc1ccccc1)c1cc(OCc3c(C)cc(C(=O)OCc4ccccc4)cc3C)ccc1[n+]2C.O=S(=O)([O-])C(F)(F)F

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.37
L3MBTL1 Q9Y468 3/20 0.34
KCNH2 Q12809 1/20 0.33
MAPT P10636 3/20 0.33
MMP13 P45452 1/20 0.33
TP53 P04637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
MAOB P27338 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PTGS2 P35354 1/20 0.33
NPC1 O15118 1/20 0.33
ATM Q13315 1/20 0.33

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 SCHEMBL4800357 0.91 L3MBTL1 (0.37) PLA2G2AL3MBTL1KCNH2MAPTMMP13
SCHEMBL13979983 0.82 L3MBTL1 (0.42) PLA2G2AL3MBTL1MMP13TP53SMN1; SMN2
Trifluoromethanesulfonic Acid SCHEMBL12096580 0.81 MAPT (0.39) PLA2G2AL3MBTL1MAPTALDH1A1GAA
SCHEMBL7532893 0.81 DHODH (0.36) PLA2G2AL3MBTL1MAPTTP53TDP1
SCHEMBL12907530 0.80 NPC1 (0.40) PLA2G2AL3MBTL1MAPTTP53ALDH1A1
Trifluoromethanesulfonic Acid SCHEMBL4197431 0.78 LMNA (0.36) MAPTTP53ALDH1A1GAASMN1; SMN2
SCHEMBL7538206 0.77 NPC1 (0.37) L3MBTL1MAPTTP53TDP1PTGS2
Trifluoromethanesulfonic Acid SCHEMBL4187182 0.75 PPARG (0.35) TP53SMN1; SMN2MAOBNPC1
Trifluoromethanesulfonic Acid SCHEMBL38663367 0.74 KCNH2 (0.38) KCNH2MAPTALDH1A1GAAHSD17B10
Trifluoromethanesulfonic Acid SCHEMBL38661828 0.73 KCNH2 (0.36) KCNH2MAPTALDH1A1HSD17B10

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
EP-1203091-B1 CHEMILUMINESCENT SUBSTRATES OF HYDROLYTIC ENZYMES SUCH AS PHOSPHATASES BAYER AG (US) 2005-03-16 EP disclosed