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Sugi Predict / Compounds / Trifluoromethanesulfonic Acid

Trifluoromethanesulfonic Acid

Trifluoromethanesulfonic Acid

SCHEMBL5227834

Cc1ccc(S(=O)(=O)OS(=O)(=O)C(F)(F)F)cc1.O=S(=O)(O)C(F)(F)F

nearest known ligand 0.40

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ ESR1 P03372 1/20 0.40
▸ ESR2 Q92731 1/20 0.40
▸ CYP2D6 P10635 1/20 0.38
▸ CA1 P00915 3/20 0.38
▸ CA2 P00918 3/20 0.38
▸ MMP1 P03956 1/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ MMP8 P22894 1/20 0.38
▸ MMP13 P45452 1/20 0.38
▸ BCHE P06276 2/20 0.38
▸ ACHE P22303 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ VDR P11473 1/20 0.37
▸ CA5A P35218 2/20 0.37
▸ CA9 Q16790 2/20 0.37
▸ CA12 O43570 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
SCHEMBL2822149 0.93 GAA (0.45) GAAMEN1KMT2AESR1ESR2
P-Xylene SCHEMBL2990077 0.80 CA2 (0.50) GAAMEN1KMT2ACA1CA2
SCHEMBL36225 0.79 GAA (0.45) GAAMEN1KMT2ACA1CA2
Trifluoromethanesulfonic Acid SCHEMBL2123096 0.78 ALDH1A1 (0.49) GAAMEN1KMT2ACYP2D6CA1
Trifluoromethanesulfonic Acid SCHEMBL485503 0.78 ALDH1A1 (0.49) GAAMEN1KMT2ACYP2D6CA1
SCHEMBL28963307 0.77 GAA (0.43) GAAMEN1KMT2AESR1ESR2
SCHEMBL562051 0.77 GAA (0.43) GAAMEN1KMT2ACA1CA2
SCHEMBL526315 0.76 GAA (0.50) GAAMEN1KMT2AESR1ESR2
SCHEMBL8847449 0.76 HTR6 (0.42) KMT2ACA1CA2MMP1MMP2
SCHEMBL28500294 0.76 ALDH1A1 (0.42) GAAMEN1KMT2ACA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1014962-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2007-06-27 — — EP disclosed
EP-1007037-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2004-10-06 — — EP disclosed
EP-1019045-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2002-07-03 — — EP disclosed
EP-1140905-A1 HETEROAROMATIC AMIDES AS INHIBITOR OF FACTOR XA ELI LILLY AND COMPANY (US) 2001-10-10 — — EP disclosed
EP-1140903-A1 AROMATIC AMIDES ELI LILLY AND COMPANY (US) 2001-10-10 — — EP disclosed
EP-0999834-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2001-04-04 — — EP disclosed
EP-1019045-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-07-19 — — EP disclosed
WO-2000039118-A1 AROMATIC AMIDES ELI LILLY AND COMPANY (US) 2000-07-06 — — WO disclosed
WO-2000039117-A1 HETEROROAROMATIC AMIDES AS INHIBITOR OF FACTOR Xa ELI LILLY AND COMPANY (US) 2000-07-06 — — WO disclosed
EP-1014962-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-07-05 — — EP disclosed
EP-1007037-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-06-14 — — EP disclosed
EP-0999834-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-05-17 — — EP disclosed
WO-1999000128-A9 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 1999-08-05 — — WO disclosed
WO-1999000121-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 — — WO disclosed
WO-1999000126-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 — — WO disclosed
WO-1999000127-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 — — WO disclosed
WO-1999000128-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 — — WO disclosed