Trifluoromethanesulfonic Acid

Trifluoromethanesulfonic Acid

SCHEMBL11064376

COc1cc(-c2ccc(C)cc2)c(OC)cc1[N+]#N.O=S(=O)([O-])C(F)(F)F

nearest known ligand 0.36

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Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.36
GPR3 P46089 1/20 0.36
PTGS2 P35354 9/20 0.35
PTGS1 P23219 4/20 0.35
MAPT P10636 2/20 0.34
SLC22A12 Q96S37 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 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
SCHEMBL11236398 0.85 BACE1 (0.38) MEN1ALDH1A1KMT2A
SCHEMBL11060656 0.85 BACE1 (0.38) MEN1ALDH1A1KMT2A
Trifluoromethanesulfonic Acid SCHEMBL11060338 0.80 ALDH1A1 (0.47) KCNH2GPR3MAPTKDM4EMEN1
Trifluoromethanesulfonic Acid SCHEMBL11061865 0.77 PTGS2 (0.40) PTGS2PTGS1MAPTMEN1ALDH1A1
Trifluoromethanesulfonic Acid SCHEMBL11061442 0.77 KCNH2 (0.40) KCNH2MAPTMEN1ALDH1A1KMT2A
Trifluoromethanesulfonic Acid SCHEMBL11060624 0.77 ALDH1A1 (0.39) PTGS2MAPTKDM4EMEN1ALDH1A1
Trifluoromethanesulfonic Acid SCHEMBL11064735 0.74 SLC22A12 (0.41) KCNH2GPR3PTGS2PTGS1SLC22A12
Sulfuric Acid SCHEMBL5679701 0.74 CYP1A1 (0.48) SLC22A12ALDH1A1
Trifluoromethanesulfonic Acid SCHEMBL11064584 0.73 ALDH1A1 (0.42) PTGS2PTGS1MAPTSLC22A12KDM4E
Sulfuric Acid SCHEMBL5679712 0.72 CYP1A1 (0.46) MAPTSLC22A12ALDH1A1

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
US-4482489-A USEFUL IN DIAZOTYPE SYSTEMS AND AS LATENT POLYMERIZATION INITIATORS JAMES RIVER GRAPHICS, INC. (US) 1984-11-13 US disclosed