Trifluoromethanesulfonic Acid

Trifluoromethanesulfonic Acid

SCHEMBL7620541

CC(C)(C)c1ccc(C[I+]Cc2ccc(C(C)(C)C)cc2)cc1.O=S(=O)([O-])C(F)(F)F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.42
CA1 P00915 5/20 0.42
ALDH1A1 P00352 3/20 0.42
ACHE P22303 4/20 0.41
BCHE P06276 1/20 0.41
GRIA4 P48058 1/20 0.39
EPHX2 P34913 2/20 0.38
NR1H4 Q96RI1 2/20 0.38
MITF O75030 1/20 0.37
HSD11B1 P28845 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 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 SCHEMBL29720379 0.79 ALDH1A1 (0.46) CA2CA1ALDH1A1ACHEBCHE
Trifluoromethanesulfonic Acid SCHEMBL31221635 0.79 CA2 (0.41) CA2CA1ALDH1A1ACHEBCHE
Trifluoromethanesulfonic Acid SCHEMBL36627 0.77 ALDH1A1 (0.46) CA2CA1ALDH1A1ACHEHSD11B1
Trifluoromethanesulfonic Acid SCHEMBL36543 0.74 ALDH1A1 (0.46) CA2CA1ALDH1A1ACHEHSD11B1
Trifluoromethanesulfonic Acid SCHEMBL30536277 0.72 ALDH1A1 (0.44) CA2CA1ALDH1A1ACHEHSD11B1
Trifluoromethanesulfonic Acid SCHEMBL1002309 0.72 HSD11B1 (0.41) CA2CA1ALDH1A1ACHEHSD11B1
Trifluoromethanesulfonic Acid SCHEMBL1270048 0.72 HSD11B1 (0.41) CA2CA1ALDH1A1ACHEHSD11B1
Trifluoromethanesulfonic Acid SCHEMBL6674631 0.70 ALDH1A1 (0.42) CA2CA1ALDH1A1HSD11B1
Tert-Butylbenzene SCHEMBL2964334 0.70 GPR3 (0.41) CA2CA1ALDH1A1ACHEHSD11B1
Biphenyl SCHEMBL1360704 0.69 PTPN1 (0.43) ALDH1A1ACHEHSD11B1

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
WO-2002068525-A1 POSITIVE PHOTODEFINABLE COMPOSITION OF POLYCARBOXYLIC ACID, PHENOLIC AND THERMOCURABLE RESINS ENTHONE, INC. (US) 2002-09-06 WO disclosed