Trifluoromethanesulfonic Acid

Trifluoromethanesulfonic Acid

SCHEMBL7702382

C[n+]1c2ccccc2c(C(=O)OC(C(F)(F)F)C(F)(F)F)c2cc(F)ccc21.O=S(=O)([O-])C(F)(F)F

nearest known ligand 0.34

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Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRA4 P48169 1/20 0.34
GABRA6 Q16445 1/20 0.34
ACHE P22303 8/20 0.32
TERT O14746 1/20 0.32

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 SCHEMBL7703831 0.92 GABRA1 (0.37) GABRA1GABRG2GABRB3GABRA5GABRA3
Trifluoromethanesulfonic Acid SCHEMBL7706738 0.89 KCNH2 (0.35) GABRA1GABRG2GABRB3GABRA5GABRA3
Trifluoromethanesulfonic Acid SCHEMBL7702814 0.86 ACHE (0.35) GABRA1GABRG2GABRB3GABRA5GABRA3
Trifluoromethanesulfonic Acid SCHEMBL7702380 0.85 ACHE (0.31) ACHETERT
Trifluoromethanesulfonic Acid SCHEMBL7705513 0.84 KCNH2 (0.37) GABRA1GABRG2GABRB3GABRA5GABRA3
Trifluoromethanesulfonic Acid SCHEMBL7703955 0.82 ABHD6 (0.40) ACHE
Trifluoromethanesulfonic Acid SCHEMBL7787040 0.78 ACHE (0.39) ACHE
Trifluoromethanesulfonic Acid SCHEMBL7024585 0.78 TP53 (0.38) ACHE
Trifluoromethanesulfonic Acid SCHEMBL7697990 0.78 ABHD6 (0.39) ACHE
Trifluoromethanesulfonic Acid SCHEMBL2996949 0.78 ACHE (0.42) ACHE

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
EP-0915851-B1 DIBENZODIHYDROPYRIDINECARBOXYLIC ESTERS AND THEIR USE IN CHEMILUMINESCENT ASSAY METHODS NEDERLANDEN STAAT (NL) 2002-03-20 EP disclosed
US-6030803-A FOR USE AS SUBSTRATE IN PEROXIDASE ASSAYS; ALPHA-CARBON ATOM OF THE ESTER ALKYL GROUP IS AN ALIPHATIC CARBON ATOM DE STAAT DER NEDERLANDEN, VERTEGENWOORDIGD DOOR DE MINISTER VAN WELZIJN, VOLKSGESZONHEID EN CULTUUR (NL) 2000-02-29 US disclosed