Trifluoromethanesulfonic Acid

Trifluoromethanesulfonic Acid

SCHEMBL8332152

C[n+]1c2ccccc2c(C(=O)O)c2ccccc21.O=S(=O)([O-])C(F)(F)F

nearest known ligand 0.41

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Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 11/20 0.41
KCNH2 Q12809 7/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GPR3 P46089 1/20 0.37

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 SCHEMBL8332157 1.00 ACHE (0.41) ACHEKCNH2KDM4EMEN1ALDH1A1
SCHEMBL8997331 0.89 ACHE (0.44) ACHEKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL8997349 0.89 ACHE (0.44) ACHEKDM4EMEN1ALDH1A1CYP1A2
Trifluoromethanesulfonic Acid SCHEMBL5705509 0.87 ACHE (0.40) ACHEKCNH2GPR3
Trifluoromethanesulfonic Acid SCHEMBL5705511 0.87 ACHE (0.40) ACHEKCNH2GPR3
Trifluoromethanesulfonic Acid SCHEMBL2996949 0.85 ACHE (0.42) ACHEKCNH2
Trifluoromethanesulfonic Acid SCHEMBL5705540 0.84 MAPT (0.39) ACHEKCNH2HPGDHSD17B10
Trifluoromethanesulfonic Acid SCHEMBL38665301 0.84 MAPT (0.39) ACHEKCNH2HPGDHSD17B10
SCHEMBL9397404 0.84 ACHE (0.53) ACHEKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL10695794 0.84 LMNA (0.47) ACHEKDM4EMEN1ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0819119-A4 COMPOUNDS, COMPOSITIONS AND METHODS FOR GENERATING CHEMILUMINESCENCE WITH PHOSPHATASE ENZYMES LUMIGEN INC (US) 1999-04-14 EP disclosed
EP-0819119-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR GENERATING CHEMILUMINESCENCE WITH PHOSPHATASE ENZYMES LUMIGEN, INC. (US) 1998-01-21 EP disclosed
WO-1997026245-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR GENERATING CHEMILUMINESCENCE WITH PHOSPHATASE ENZYMES LUMIGEN, INC. (US) 1997-07-24 WO disclosed