Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL9704833

CCCCc1nc2ncc(N3C(=O)c4ccccc4C3=O)cc2n1Cc1ccc(-c2ccccc2OC(=O)O)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.46

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Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.45
AGTR2 P50052 2/20 0.45
PPARG P37231 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
SCHEMBL9703987 0.87 AGTR1 (0.46) AGTR1AGTR2PPARG
SCHEMBL9704298 0.86 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL9704975 0.85 AGTR1 (0.47) AGTR1AGTR2PPARG
Trifluoroacetic Acid SCHEMBL9704812 0.83 AGTR1 (0.47) AGTR1AGTR2PPARG
SCHEMBL9704762 0.83 AGTR1 (0.51) AGTR1AGTR2PPARG
SCHEMBL9705065 0.82 AGTR1 (0.49) AGTR1AGTR2PPARG
SCHEMBL9705965 0.81 AGTR1 (0.50) AGTR1AGTR2PPARG
Trifluoroacetic Acid SCHEMBL9040471 0.81 AGTR1 (0.54) AGTR1AGTR2PPARG
SCHEMBL9704879 0.81 AGTR1 (0.55) AGTR1AGTR2PPARG
Trifluoroacetic Acid SCHEMBL9041957 0.80 AGTR1 (0.48) 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
EP-0470543-A1 Heterocyclic imidazoles, remedies containing them and processes for their preparation Dr. Karl Thomae GmbH (DE) 1992-02-12 EP disclosed