Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6776170

COC(=O)C(=Cc1cc2ccnc(N)c2cc1OCCN)NC(C)=O.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.35
PDE10A Q9Y233 16/20 0.33
PDE3B Q13370 5/20 0.33
PDE3A Q14432 5/20 0.33
F9 P00740 1/20 0.31
F10 P00742 1/20 0.31
PLAU P00749 1/20 0.31
F11 P03951 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
F7 P08709 1/20 0.31
PRSS3 P35030 1/20 0.31

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 SCHEMBL6766189 0.88 ATM (0.37) F9F10PLAUF11PRSS1
Trifluoroacetic Acid SCHEMBL6768703 0.82 F10 (0.42) F9F10PLAUF11PRSS1
Trifluoroacetic Acid SCHEMBL6776292 0.78 DPP4 (0.52) DPP4PDE10APDE3BPDE3A
SCHEMBL3896455 0.69 PPARD (0.35)
SCHEMBL3896456 0.69 PPARD (0.35)
Hydrochloric Acid SCHEMBL3898008 0.68 PPARD (0.34)
Hydrochloric Acid SCHEMBL3898010 0.68 PPARD (0.34)
Trifluoroacetic Acid SCHEMBL6770800 0.67 ROCK1 (0.38) PDE10APDE3BPDE3AF9F10
Trifluoroacetic Acid SCHEMBL6770678 0.64 F7 (0.33) PDE10APDE3BPDE3AF9F10
Trifluoroacetic Acid SCHEMBL2544525 0.61 ROCK1 (0.45) F9PLAUF11PRSS1PRSS2

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