Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6771855

CN(C)C(=N)c1ccc(C(=O)N[C@H](CCC(=O)O)COc2ccc3ccnc(N)c3c2)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.39
PTPN1 P18031 1/20 0.35
DHFR P00374 3/20 0.35
TLR7 Q9NYK1 1/20 0.34
GART P22102 3/20 0.34
FOLR2 P14207 1/20 0.34
FOLR1 P15328 1/20 0.34
SLC19A1 P41440 1/20 0.34
SLC46A1 Q96NT5 1/20 0.34
ITGB3 P05106 2/20 0.34
ITGB1 P05556 2/20 0.34
ITGAV P06756 2/20 0.34
ITGA5 P08648 2/20 0.34
ITGB5 P18084 1/20 0.33
ITGB6 P18564 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
Trifluoroacetic Acid SCHEMBL6769745 0.88 F10 (0.42) F10PTPN1DHFRTLR7GART
Trifluoroacetic Acid SCHEMBL6771022 0.88 F10 (0.40) F10PTPN1DHFRTLR7GART
Trifluoroacetic Acid SCHEMBL6775797 0.86 DHFR (0.40) F10PTPN1DHFRGARTFOLR2
Trifluoroacetic Acid SCHEMBL6769296 0.85 F10 (0.40) F10PTPN1DHFRTLR7GART
Trifluoroacetic Acid SCHEMBL7812384 0.85 F10 (0.40) F10PTPN1DHFRTLR7GART
Trifluoroacetic Acid SCHEMBL6775993 0.82 F10 (0.42) F10
SCHEMBL6769748 0.80 F10 (0.39) F10PTPN1TLR7
SCHEMBL6771027 0.79 F10 (0.36) F10TLR7
SCHEMBL6775969 0.77 F10 (0.38) F10PTPN1
SCHEMBL7812388 0.76 F10 (0.37) F10TLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6825181-B1 ORALLY ADMINISTRATED TO EXHIBIT A STRONG ANTICOAGULANT EFFECT BY INHIBITING ACTIVATED BLOOD- COAGULATION FACTOR X AJINOMOTO CO., INC. (JP) 2004-11-30 US disclosed
EP-1065200-A1 AMINOISOQUINOLINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2001-01-03 EP disclosed