Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6769455

N=C(N)Nc1ccc(C(=O)NCCOc2ccc3ccnc(N)c3c2)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.45
CA9 Q16790 3/20 0.44
F7 P08709 5/20 0.40
F9 P00740 3/20 0.40
PLAU P00749 1/20 0.40
F11 P03951 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
NAMPT P43490 1/20 0.39
NPC1 O15118 1/20 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
Trifluoroacetic Acid SCHEMBL6890249 0.86 F10 (0.49) F10NPC1
Trifluoroacetic Acid SCHEMBL6775993 0.86 F10 (0.42) F10NPC1
Trifluoroacetic Acid SCHEMBL6770182 0.85 NPC1 (0.42) F10NPC1
Trifluoroacetic Acid SCHEMBL6765882 0.84 F10 (0.56) F10NPC1
Trifluoroacetic Acid SCHEMBL6770318 0.84 TRPV1 (0.42) F10NPC1
Trifluoroacetic Acid SCHEMBL6775790 0.82 F10 (0.41) F10NPC1
Trifluoroacetic Acid SCHEMBL6775232 0.82 RAD52 (0.42) F10F7NPC1
Trifluoroacetic Acid SCHEMBL6771022 0.82 F10 (0.40) F10F7F9F11PRSS1
Trifluoroacetic Acid SCHEMBL6769129 0.82 F10 (0.53) F10
Trifluoroacetic Acid SCHEMBL6771145 0.80 ROCK1 (0.48) F10F7

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