Trifluoromethanesulfonic Acid

Trifluoromethanesulfonic Acid

SCHEMBL9324835

O=C(Oc1ccc([S+](c2ccc(OC(=O)C34CC5CC(CC(C5)C3)C4)cc2)c2ccc(OC(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1)C12CC3CC(CC(C3)C1)C2.O=S(=O)([O-])C(F)(F)F

nearest known ligand 0.55

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.55
GAA P10253 1/20 0.55
XBP1 P17861 1/20 0.55
TP53 P04637 2/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
KDM4E B2RXH2 3/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
CA9 Q16790 3/20 0.38
CA12 O43570 2/20 0.38
ENPP3 O14638 2/20 0.38
ENPP1 P22413 2/20 0.38
ENPP2 Q13822 2/20 0.38
STS P08842 1/20 0.38
ALDH1A1 P00352 6/20 0.37
HPGD P15428 1/20 0.36
CYP17A1 P05093 2/20 0.36
CYP19A1 P11511 2/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL10170645 0.81 GAA (0.63) MAPTGAAXBP1TP53LMNA
SCHEMBL9889029 0.79 MAPT (0.60) MAPTGAAXBP1TP53LMNA
SCHEMBL9628283 0.78 GAA (0.55) MAPTGAAXBP1TP53LMNA
SCHEMBL14651295 0.78 MAPT (0.86) MAPTGAAXBP1TP53LMNA
SCHEMBL24361072 0.76 MAPT (0.56) MAPTGAAXBP1TP53LMNA
SCHEMBL16812085 0.76 GAA (0.67) MAPTGAAXBP1TP53LMNA
SCHEMBL544306 0.75 ALDH1A1 (0.43) MAPTGAAXBP1LMNAPOLB
SCHEMBL1830510 0.75 GAA (0.34) MAPTGAAXBP1TP53LMNA
SCHEMBL3790171 0.74 KDM4E (0.40) MAPTGAAXBP1TP53LMNA
SCHEMBL501575 0.74 KDM4E (0.38) MAPTGAAXBP1KDM4EKMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3148256-A None JP disclosed
EP-0410263-B1 Cationic photoinitiated polymerisation process and the preparation of relief motifs or photoimages using sulfonium salts BASF AG (DE) 1994-02-16 EP disclosed
US-5159088-A Photinitiators for cationic polymerization BASF AKTIENGESELLSCHAFT (DE) 1992-10-27 US disclosed
JP-H03148256-A NEW SULFONIUM SALT USEFUL AS PHOTOPOLYMERIZATION INITIATOR BASF AG 1991-06-25 JP disclosed