Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL8905207

CCCCc1nc2ccc(N)cc2n1-c1ccc(-c2ccccc2C(=O)O)c(C)c1.O=C(O)C(F)(F)F

nearest known ligand 0.56

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Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.44
AGTR2 P50052 2/20 0.44
PPARG P37231 3/20 0.42

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
SCHEMBL8395430 0.95 AGTR1 (0.48) AGTR1AGTR2PPARG
Trifluoroacetic Acid SCHEMBL8394600 0.89 AGTR1 (0.43) AGTR1AGTR2PPARG
Trifluoroacetic Acid SCHEMBL8395903 0.88 AGTR1 (0.45) AGTR1AGTR2
Trifluoroacetic Acid SCHEMBL8393012 0.86 AGTR1 (0.40) AGTR1AGTR2PPARG
SCHEMBL8392247 0.86 AGTR1 (0.49) AGTR1AGTR2PPARG
SCHEMBL8396973 0.85 AGTR1 (0.46) AGTR1AGTR2
Trifluoroacetic Acid SCHEMBL8392505 0.85 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL8396008 0.85 AGTR1 (0.48) AGTR1AGTR2PPARG
SCHEMBL8391694 0.85 AGTR1 (0.53) AGTR1AGTR2PPARG
SCHEMBL8391405 0.85 AGTR1 (0.49) AGTR1AGTR2PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5684029-A HYPOTENSIVE AGENTS KARL THOMAE GMBH (DE) 1997-11-04 US disclosed