Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL8905350

CCCCc1nc2ccc(N3C(=O)CN(Cc4ccccc4)C3=O)cc2n1-c1ccc(-c2ccccc2)c(C(=O)O)c1C.O=C(O)C(F)(F)F

nearest known ligand 0.43

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Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.37
AGTR2 P50052 1/20 0.37
PPARD Q03181 2/20 0.36
PPARA Q07869 2/20 0.36
PPARG P37231 1/20 0.36
EDNRA P25101 1/20 0.35
ENPP2 Q13822 1/20 0.35

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
SCHEMBL8906951 0.83 AGTR1 (0.39) AGTR1AGTR2PPARG
Trifluoroacetic Acid SCHEMBL9097601 0.80 AGTR1 (0.61) AGTR1AGTR2PPARG
SCHEMBL8907060 0.79 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL8905662 0.79 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL8906972 0.79 AGTR1 (0.39) AGTR1AGTR2
Trifluoroacetic Acid SCHEMBL8788413 0.77 AGTR1 (0.47) AGTR1AGTR2PPARG
SCHEMBL8906906 0.76 AGTR1 (0.39) AGTR1AGTR2PPARG
Trifluoroacetic Acid SCHEMBL8905360 0.76 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL8905229 0.76 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL8905890 0.75 AGTR1 (0.38) 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