Trifluoromethanesulfonic Acid

Trifluoromethanesulfonic Acid

SCHEMBL8069550

CN(C)c1ccc([S+](c2ccc(OC(C)(C)C)cc2)c2ccc(N(C)C)cc2)cc1.O=S(=O)([O-])C(F)(F)F

nearest known ligand 0.34

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.34
G6PD P11413 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
NSD2 O96028 2/20 0.34
NR2F2 P24468 1/20 0.34
ALDH1A1 P00352 2/20 0.33
ALOX15 P16050 2/20 0.33
TSHR P16473 1/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 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
Trifluoromethanesulfonic Acid SCHEMBL8078870 1.00 HSP90AA1 (0.34) HSP90AA1G6PDHDAC3HDAC4HDAC1
SCHEMBL8324853 0.90 ALDH1A1 (0.36) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8318829 0.90 ALDH1A1 (0.36) HDAC3HDAC4HDAC1HDAC7HDAC2
Trifluoromethanesulfonic Acid SCHEMBL66112 0.90 GPR3 (0.34)
Trifluoromethanesulfonic Acid SCHEMBL8494445 0.89 CA2 (0.34) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8651573 0.87 HDAC3 (0.34) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8647750 0.87 HDAC3 (0.34) HDAC3HDAC4HDAC1HDAC7HDAC2
Trifluoromethanesulfonic Acid SCHEMBL8631985 0.87 ALDH1A1 (0.41) HSP90AA1NSD2NR2F2ALDH1A1ALOX15
SCHEMBL8323353 0.85 ALDH1A1 (0.41) ALDH1A1ALOX15TSHRKDM4EHPGD
SCHEMBL248025 0.85 ALDH1A1 (0.41) ALDH1A1ALOX15TSHRKDM4EHPGD

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-6106993-A HIGHLY SENSITIVE TO ACTINIC RADIATION SUCH AS DEEP-UV, ELECTRON BEAM AND X-RAY, CAN BE DEVELOPED WITH ALKALINE AQUEOUS SOLUTION TO FORM A PATTERN, AND IS THUS SUITABLE FOR USE IN A FINE PATTERNING TECHNIQUE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2000-08-22 US disclosed