Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6771709

Nc1nccc2cc(CC(=O)C(=O)O)c(OCCNC(=O)c3ccc(C(=O)N4CCCC4)cc3)cc12.O=C(O)C(F)(F)F

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F10 P00742 8/20 0.62
F2 P00734 3/20 0.62
KLKB1 P03952 3/20 0.39
KLK1 P06870 1/20 0.39
C1S P09871 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
F7 P08709 4/20 0.35
F9 P00740 2/20 0.35
ATR Q13535 2/20 0.35
PRKDC P78527 1/20 0.35
PLAU P00749 1/20 0.35
F11 P03951 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 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
SCHEMBL6771710 0.89 F10 (0.52) F10F2KLKB1KLK1C1S
Trifluoroacetic Acid SCHEMBL6765882 0.84 F10 (0.56) F10F2KLKB1KLK1C1S
Trifluoroacetic Acid SCHEMBL6765933 0.82 F10 (0.68) F10F2F7
Trifluoroacetic Acid SCHEMBL6769129 0.81 F10 (0.53) F10F2KLKB1KLK1C1S
Trifluoroacetic Acid SCHEMBL3905673 0.81 F10 (0.92) F10F2OPRM1OPRD1PRSS1
Trifluoroacetic Acid SCHEMBL6768943 0.81 F10 (0.50) F10F2KLKB1KLK1OPRM1
Trifluoroacetic Acid SCHEMBL6768703 0.80 F10 (0.42) F10F2KLKB1KLK1C1S
Trifluoroacetic Acid SCHEMBL6769821 0.78 F10 (0.51) F10F2KLKB1KLK1OPRM1
SCHEMBL13901249 0.77 F10 (1.00) F10F2PRSS1
Trifluoroacetic Acid SCHEMBL3902136 0.72 F10 (0.74) F10F2

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