Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3900322

N=C(N)c1cccc(OC[C@H](Cc2ccc(OC3CCNCC3)cc2)NS(=O)(=O)c2ccccc2)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 14/20 0.46
TMPRSS6 Q8IU80 11/20 0.46
ITGB3 P05106 2/20 0.45
ITGA2B P08514 2/20 0.45
F10 P00742 7/20 0.44
PLG P00747 2/20 0.42
PLAU P00749 2/20 0.42
ST14 Q9Y5Y6 2/20 0.42

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
Trifluoroacetic Acid SCHEMBL3900418 1.00 F2 (0.46) F2TMPRSS6ITGB3ITGA2BF10
SCHEMBL14132285 0.95 F10 (0.46) F2ITGB3ITGA2BF10PLG
SCHEMBL14132239 0.95 F10 (0.46) F2ITGB3ITGA2BF10PLG
Trifluoroacetic Acid SCHEMBL3895751 0.95 F2 (0.43) F2TMPRSS6ITGB3ITGA2BF10
Trifluoroacetic Acid SCHEMBL3897239 0.94 F10 (0.51) F2TMPRSS6F10PLGPLAU
Trifluoroacetic Acid SCHEMBL3899142 0.93 F2 (0.42) F2TMPRSS6ITGB3ITGA2BF10
Trifluoroacetic Acid SCHEMBL3897232 0.92 F2 (0.39) F2TMPRSS6ITGB3ITGA2BF10
Trifluoroacetic Acid SCHEMBL3898125 0.91 F2 (0.44) F2TMPRSS6ITGB3ITGA2BF10
SCHEMBL14132069 0.91 F10 (0.45) F2ITGB3ITGA2BF10PLG
Trifluoroacetic Acid SCHEMBL5092482 0.91 F10 (0.45) F2TMPRSS6F10

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-0976722-B1 BENZAMIDINE DERIVATIVES AJINOMOTO KK (JP) 2009-03-11 EP disclosed
US-7396844-B1 Benzamidine derivatives AJINOMOTO CO., INC. (JP) 2008-07-08 US disclosed
EP-0976722-A1 BENZAMIDINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2000-02-02 EP disclosed