Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3899142

COC(=O)c1ccc(S(=O)(=O)N[C@H](COc2cccc(C(=N)N)c2)Cc2ccc(OC3CCNCC3)cc2)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 12/20 0.42
TMPRSS6 Q8IU80 8/20 0.42
F10 P00742 10/20 0.41
ITGB3 P05106 2/20 0.39
ITGA2B P08514 2/20 0.39
PLG P00747 2/20 0.39
PLAU P00749 2/20 0.39
ST14 Q9Y5Y6 2/20 0.39

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
SCHEMBL3902762 0.96 F10 (0.43) F2F10ITGB3ITGA2BPLG
Trifluoroacetic Acid SCHEMBL3898125 0.94 F2 (0.44) F2TMPRSS6F10ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL3895751 0.94 F2 (0.43) F2TMPRSS6F10ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL3900322 0.93 F2 (0.46) F2TMPRSS6F10ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL3900418 0.93 F2 (0.46) F2TMPRSS6F10ITGB3ITGA2B
SCHEMBL14132069 0.90 F10 (0.45) F2F10ITGB3ITGA2BPLG
Trifluoroacetic Acid SCHEMBL3899879 0.90 F10 (0.55) F2F10PLGPLAUST14
Trifluoroacetic Acid SCHEMBL3897239 0.90 F10 (0.51) F2TMPRSS6F10PLGPLAU
SCHEMBL14132309 0.90 F10 (0.47) F2F10ITGB3ITGA2BPLG
Trifluoroacetic Acid SCHEMBL3897232 0.89 F2 (0.39) F2TMPRSS6F10ITGB3ITGA2B

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