Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6771022

N=C(N)Nc1ccc(C(=O)N[C@H](CCC(=O)O)COc2ccc3ccnc(N)c3c2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.40
PTPN1 P18031 1/20 0.37
F7 P08709 2/20 0.36
F9 P00740 1/20 0.36
F11 P03951 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
MTHFD1 P11586 1/20 0.35
MTHFD2 P13995 1/20 0.35
DHFR P00374 3/20 0.34
TLR7 Q9NYK1 1/20 0.34
FOLR2 P14207 1/20 0.34
FOLR1 P15328 1/20 0.34
GART P22102 1/20 0.34
SLC19A1 P41440 1/20 0.34
SLC46A1 Q96NT5 1/20 0.34

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
SCHEMBL6771027 0.89 F10 (0.36) F10F7F9F11PRSS1
Trifluoroacetic Acid SCHEMBL6769745 0.88 F10 (0.42) F10PTPN1DHFRTLR7FOLR2
Trifluoroacetic Acid SCHEMBL6771855 0.88 F10 (0.39) F10PTPN1DHFRTLR7FOLR2
Trifluoroacetic Acid SCHEMBL6769296 0.86 F10 (0.40) F10PTPN1DHFRTLR7FOLR2
Trifluoroacetic Acid SCHEMBL7812384 0.86 F10 (0.40) F10PTPN1DHFRTLR7FOLR2
Trifluoroacetic Acid SCHEMBL6775797 0.86 DHFR (0.40) F10PTPN1DHFRFOLR2FOLR1
Trifluoroacetic Acid SCHEMBL6769455 0.82 F10 (0.45) F10F7F9F11PRSS1
SCHEMBL6769748 0.78 F10 (0.39) F10PTPN1TLR7
SCHEMBL7812388 0.76 F10 (0.37) F10PRSS1TLR7
SCHEMBL6769298 0.76 F10 (0.37) F10PRSS1TLR7

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