Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7362302

NC(=O)CN(CCCCc1ccc(N)cc1)c1cccc(C(N)=O)c1.O=C(O)C(F)(F)F

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2 P00734 10/20 0.57
PRSS1 P07477 9/20 0.57
PRSS2 P07478 9/20 0.57
PRSS3 P35030 9/20 0.57
F10 P00742 2/20 0.47
PLG P00747 2/20 0.47
PLAT P00750 2/20 0.47
F7 P08709 2/20 0.47
OPRM1 P35372 10/20 0.39
OPRD1 P41143 10/20 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 SCHEMBL7450712 0.92 F2 (0.67) F2PRSS1PRSS2PRSS3F10
Trifluoroacetic Acid SCHEMBL7361315 0.87 F2 (0.61) F2PRSS1PRSS2PRSS3F10
SCHEMBL7363749 0.86 F2 (0.59) F2PRSS1PRSS2PRSS3F10
Trifluoroacetic Acid SCHEMBL7450717 0.83 F2 (0.49) F2PRSS1PRSS2PRSS3F10
SCHEMBL7362306 0.81 F2 (0.45) F2PRSS1PRSS2PRSS3F10
Trifluoroacetic Acid SCHEMBL7454966 0.80 F2 (0.59) F2PRSS1PRSS2PRSS3F10
SCHEMBL7362325 0.79 FFAR1 (0.42) F2PRSS1PRSS2PRSS3F10
Trifluoroacetic Acid SCHEMBL7463044 0.79 F2 (0.72) F2PRSS1PRSS2PRSS3F10
SCHEMBL7363751 0.77 F2 (0.42) F2PRSS1PRSS2PRSS3F10
Trifluoroacetic Acid SCHEMBL7463140 0.75 F2 (0.72) F2PRSS1PRSS2PRSS3F10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0892780-B1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2002-11-20 EP disclosed
EP-0892780-A1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1999-01-27 EP disclosed
WO-1997030971-A1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-28 WO disclosed