Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7370713

O=C(Cn1c(Cl)cnc(NCC(F)(F)c2cccc[n+]2[O-])c1=O)NCc1ccccc1S(=O)(=O)CC(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.75

Full drug profile on Sugi Atlas →

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
F2 P00734 19/20 0.75
PRSS1 P07477 1/20 0.66

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 SCHEMBL7366575 0.94 F2 (0.76) F2PRSS1
SCHEMBL7361823 0.89 F2 (0.83) F2PRSS1
Trifluoroacetic Acid SCHEMBL7365223 0.85 F2 (0.76) F2PRSS1
Trifluoroacetic Acid SCHEMBL7369968 0.85 F2 (0.81) F2PRSS1
SCHEMBL7371116 0.85 F2 (1.00) F2PRSS1
Trifluoroacetic Acid SCHEMBL7369104 0.85 F2 (0.80) F2PRSS1
SCHEMBL7715240 0.84 F2 (1.00) F2
Trifluoroacetic Acid SCHEMBL7408458 0.84 F2 (0.76) F2PRSS1
SCHEMBL7368175 0.84 F2 (1.00) F2PRSS1
Trifluoroacetic Acid SCHEMBL7369573 0.83 F2 (0.79) 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 3 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
US-6387911-B1 Pyrazinone thrombin inhibitors MERCK & CO., INC. 2002-05-14 US disclosed
WO-2001038323-A1 PYRAZINONE THROMBIN INHIBITORS MERCK & CO., INC. (US) 2001-05-31 WO disclosed