Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7364912

CCS(=O)(=O)c1ccccc1Cc1nc(NCC(F)(F)c2cccc[n+]2[O-])c(=O)n(CC(N)=O)c1Cl.O=C(O)C(F)(F)F

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
F2 P00734 19/20 0.49
PRSS1 P07477 1/20 0.43

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
SCHEMBL7372885 0.84 F2 (0.57) F2PRSS1
SCHEMBL7368660 0.79 F2 (0.62) F2PRSS1
SCHEMBL7363166 0.76 F2 (0.48) F2PRSS1
Trifluoroacetic Acid SCHEMBL7364412 0.74 F2 (0.49) F2PRSS1
SCHEMBL7372745 0.73 F2 (0.75) F2PRSS1
Trifluoroacetic Acid SCHEMBL7370713 0.72 F2 (0.75) F2PRSS1
SCHEMBL5856303 0.67 F2 (0.79) F2
SCHEMBL5855403 0.67 F2 (0.71) F2
SCHEMBL7362729 0.66 F2 (0.46) F2PRSS1
SCHEMBL7216987 0.66 F2 (0.63) F2PRSS1

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
EP-1259506-A1 PYRAZINONE THROMBIN INHIBITORS Merck & Co., Inc. (US) 2002-11-27 EP disclosed
WO-2001038323-A1 PYRAZINONE THROMBIN INHIBITORS MERCK & CO., INC. (US) 2001-05-31 WO disclosed