Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6769296

Nc1nccc2ccc(OC[C@@H](CCC(=O)O)NC(=O)c3ccc(C(=O)N4CCCC4)cc3)cc12.O=C(O)C(F)(F)F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.40
ACACB O00763 1/20 0.36
ACACA Q13085 1/20 0.36
C1S P09871 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
PTPN1 P18031 1/20 0.34
GART P22102 2/20 0.34
EGLN1 Q9GZT9 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
ATR Q13535 2/20 0.34
PRKDC P78527 1/20 0.34
KLKB1 P03952 2/20 0.34
MAPK7 Q13164 1/20 0.34
DHFR P00374 1/20 0.34
KLK1 P06870 1/20 0.34
FOLR2 P14207 1/20 0.33
FOLR1 P15328 1/20 0.33
SLC19A1 P41440 1/20 0.33
SLC46A1 Q96NT5 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 SCHEMBL7812384 1.00 F10 (0.40) F10ACACBACACAC1STLR7
SCHEMBL7812388 0.90 F10 (0.37) F10ACACBACACAC1STLR7
SCHEMBL6769298 0.90 F10 (0.37) F10ACACBACACAC1STLR7
Trifluoroacetic Acid SCHEMBL6769745 0.87 F10 (0.42) F10TLR7PTPN1GARTDHFR
Trifluoroacetic Acid SCHEMBL6771022 0.86 F10 (0.40) F10TLR7PTPN1GARTDHFR
Trifluoroacetic Acid SCHEMBL6771855 0.85 F10 (0.39) F10TLR7PTPN1GARTDHFR
Trifluoroacetic Acid SCHEMBL6775797 0.85 DHFR (0.40) F10PTPN1GARTDHFRFOLR2
Trifluoroacetic Acid SCHEMBL6765882 0.82 F10 (0.56) F10C1SEGLN1HRH3ATR
Trifluoroacetic Acid SCHEMBL6769129 0.82 F10 (0.53) F10C1SEGLN1HRH3ATR
SCHEMBL6769748 0.77 F10 (0.39) F10TLR7PTPN1KLKB1

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