Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5209705

NC(=O)C1NC2C=CCC(=O)C2S1.NCc1cccc(C(=O)N(CC(=O)O)c2ccccc2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.33

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Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.33
PRSS1 P07477 2/20 0.33
PRSS2 P07478 2/20 0.33
PRSS3 P35030 2/20 0.33
FOLH1 Q04609 2/20 0.32
ADRA2C P18825 1/20 0.32
F10 P00742 1/20 0.31
CPB2 Q96IY4 2/20 0.31
ACHE P22303 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
TPSAB1 Q15661 1/20 0.30

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
SCHEMBL5628892 0.78 ADRA2C (0.35) F2ADRA2CF10ACHE
Trifluoroacetic Acid SCHEMBL5206988 0.75 FOLH1 (0.35) F2PRSS1PRSS2PRSS3FOLH1
Trifluoroacetic Acid SCHEMBL5209569 0.74 F2 (0.31) F2FOLH1
Trifluoroacetic Acid SCHEMBL5212475 0.74 GAA (0.37) F2PRSS1PRSS2PRSS3FOLH1
Trifluoroacetic Acid SCHEMBL5629214 0.73 F2 (0.32) F2PRSS1PRSS2PRSS3FOLH1
SCHEMBL5210877 0.73 ADRA2C (0.52) F2ADRA2CACHE
Trifluoroacetic Acid SCHEMBL5210467 0.72 F2 (0.37) F2PRSS1PRSS2PRSS3FOLH1
Trifluoroacetic Acid SCHEMBL5203647 0.72 F2 (0.36) F2PRSS1PRSS2PRSS3FOLH1
Trifluoroacetic Acid SCHEMBL5210906 0.72 ACHE (0.39) F2PRSS1PRSS2PRSS3ADRA2C
Trifluoroacetic Acid SCHEMBL5213937 0.72 F2 (0.34) F2PRSS1PRSS2PRSS3FOLH1

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-1343561-B1 SERINE PROTEASE INHIBITORS TULARIK LTD (GB) 2007-02-28 EP disclosed
EP-1343561-A1 SERINE PROTEASE INHIBITORS Tularik Limited (GB) 2003-09-17 EP disclosed
WO-2002047762-A1 SERINE PROTEASE INHIBITORS TULARIK LIMITED (GB) 2002-06-20 WO disclosed