Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6765882

Nc1nccc2ccc(OCCNC(=O)c3ccc(C(=O)N4CCCC4)cc3)cc12.O=C(O)C(F)(F)F

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.56
F2 P00734 1/20 0.47
KLKB1 P03952 3/20 0.47
HRH3 Q9Y5N1 2/20 0.42
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KLK1 P06870 1/20 0.40
C1S P09871 1/20 0.39
NPC1 O15118 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
PRKDC P78527 1/20 0.38
ATR Q13535 1/20 0.38

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 SCHEMBL6769129 0.97 F10 (0.53) F10F2KLKB1HRH3ALDH1A1
Trifluoroacetic Acid SCHEMBL6890249 0.85 F10 (0.49) F10KLKB1HPGDMEN1KMT2A
Trifluoroacetic Acid SCHEMBL6775790 0.84 F10 (0.41) F10F2KLKB1ALDH1A1NPC1
Trifluoroacetic Acid SCHEMBL6769455 0.84 F10 (0.45) F10NPC1
Trifluoroacetic Acid SCHEMBL6771709 0.84 F10 (0.62) F10F2KLKB1KLK1C1S
Trifluoroacetic Acid SCHEMBL6770182 0.83 NPC1 (0.42) F10KLKB1ALDH1A1HPGDSMN1; SMN2
Trifluoroacetic Acid SCHEMBL6775993 0.82 F10 (0.42) F10KLKB1ALDH1A1HPGDSMN1; SMN2
Trifluoroacetic Acid SCHEMBL6770318 0.82 TRPV1 (0.42) F10KLKB1MEN1KMT2ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL7812384 0.82 F10 (0.40) F10KLKB1HRH3KLK1C1S
Trifluoroacetic Acid SCHEMBL6770954 0.82 F10 (0.63) F10F2KMT2A

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