Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL9704988

CCCCc1nc2nc(C)c(N3C(=O)[C@H]4CCCC[C@H]4C3=O)cc2n1Cc1ccc(-c2ccccc2OC(=O)O)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.43
AGTR2 P50052 3/20 0.43
PPARG P37231 2/20 0.41

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
SCHEMBL9705915 0.92 PPARG (0.46) AGTR1AGTR2PPARG
SCHEMBL9705173 0.88 AGTR1 (0.44) AGTR1AGTR2PPARG
SCHEMBL9704685 0.86 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9705065 0.86 AGTR1 (0.49) AGTR1AGTR2PPARG
SCHEMBL9704456 0.84 PPARG (0.43) AGTR1AGTR2PPARG
SCHEMBL9704975 0.83 AGTR1 (0.47) AGTR1AGTR2PPARG
SCHEMBL9705912 0.82 PPARG (0.58) AGTR1AGTR2PPARG
SCHEMBL9704827 0.82 PPARG (0.46) PPARG
Trifluoroacetic Acid SCHEMBL9704068 0.81 AGTR1 (0.46) AGTR1AGTR2PPARG
Trifluoroacetic Acid SCHEMBL9704833 0.79 AGTR1 (0.45) 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