Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6166848

CC(=O)N(C)[C@@H](Cc1cccc(C(=N)N)c1)C(N)=O.O=C(O)C(F)(F)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2 P00734 9/20 0.43
TMPRSS6 Q8IU80 4/20 0.43
PRSS1 P07477 6/20 0.42
PRSS2 P07478 3/20 0.42
PRSS3 P35030 3/20 0.42
F10 P00742 8/20 0.42
LOXL2 Q9Y4K0 1/20 0.41

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 SCHEMBL6166845 0.80 NOS3 (0.35) F2TMPRSS6
SCHEMBL17992751 0.79 EPHX1 (0.49)
Trifluoroacetic Acid SCHEMBL6161743 0.79 F2 (0.50) F2TMPRSS6PRSS1F10
Trifluoroacetic Acid SCHEMBL6162719 0.78 F9 (0.48) F2PRSS1PRSS2PRSS3F10
Trifluoroacetic Acid SCHEMBL6165429 0.75 F2 (0.55) F2TMPRSS6F10
Trifluoroacetic Acid SCHEMBL6164542 0.74 F2 (0.50) F2TMPRSS6F10
SCHEMBL288337 0.71 SLC7A5 (0.65) PRSS1PRSS2PRSS3LOXL2
SCHEMBL202409 0.71 SLC7A5 (0.65) PRSS1PRSS2PRSS3LOXL2
SCHEMBL31538733 0.71 SLC7A5 (0.65) PRSS1PRSS2PRSS3LOXL2
SCHEMBL202408 0.71 SLC7A5 (0.65) PRSS1PRSS2PRSS3LOXL2

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-1254136-A4 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD (KR) 2005-06-01 EP claimed
EP-1254136-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG Chem Investment, Ltd. (KR) 2002-11-06 EP claimed
WO-2001055146-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD. (KR) 2001-08-02 WO claimed