Trifluoromethanesulfonic Acid

Trifluoromethanesulfonic Acid

SCHEMBL6552836

C[n+]1ccc(C=CC=O)cc1.O=S(=O)([O-])C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHAT P28329 5/20 0.41
ALDH1A1 P00352 5/20 0.39
LMNA P02545 2/20 0.39
TRPA1 O75762 1/20 0.39
ALOX5 P09917 1/20 0.39
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 3/20 0.38
RAB9A P51151 2/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPT P10636 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
ALPG P10696 1/20 0.36
THRB P10828 1/20 0.36
HTT P42858 1/20 0.36
GFER P55789 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HDAC8 Q9BY41 1/20 0.35

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
SCHEMBL2029198 0.83 CHAT (0.56) CHATALDH1A1LMNATRPA1ALOX5
SCHEMBL4626109 0.83 CHAT (0.56) CHATALDH1A1LMNATRPA1ALOX5
Trifluoromethanesulfonic Acid SCHEMBL660654 0.79 HDAC8 (0.62) CHATHDAC8KCNH2ACHE
Trifluoromethanesulfonic Acid SCHEMBL3630137 0.74 KCNH2 (0.47) KCNH2ACHE
Sulfuric Acid SCHEMBL7787999 0.71 CHAT (0.52) CHATALDH1A1LMNAKDM4ERAB9A
SCHEMBL3941498 0.71 ALDH1A1 (0.47) ALDH1A1LMNATRPA1ALOX5MAPK1
SCHEMBL3941495 0.71 ALDH1A1 (0.47) ALDH1A1LMNATRPA1ALOX5MAPK1
Trifluoromethanesulfonic Acid SCHEMBL30330519 0.71 KCNH2 (0.45) KCNH2ACHE
Trifluoromethanesulfonic Acid SCHEMBL17094433 0.69 HDAC8 (0.62) HDAC8KCNH2ACHE
Trifluoromethanesulfonic Acid SCHEMBL321089 0.68 KCNH2 (0.40) KCNH2ACHE

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-1037586-B1 UTILIZATION OF ONIUM ALDEHYDES AND ONIUM KETONES FOR DYING FIBERS CONTAINING KERATIN HENKEL KGAA (DE) 2004-12-22 EP disclosed
EP-1037586-A1 UTILIZATION OF ONIUM ALDEHYDES AND ONIUM KETONES FOR DYING FIBERS CONTAINING KERATIN Henkel Kommanditgesellschaft auf Aktien (DE) 2000-09-27 EP disclosed
WO-1999018916-A2 UTILIZATION OF ONIUM ALDEHYDES AND ONIUM KETONES FOR DYING FIBERS CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1999-04-22 WO disclosed