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Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL9846785

CCCCc1nccn1-c1ccc2c(c1)cc(-c1ccccc1C(=O)O)n2C.O=C(O)C(F)(F)F

nearest known ligand 0.46

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Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 4/20 0.46
▸ AGTR2 P50052 4/20 0.46

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
SCHEMBL9846704 0.85 TLR8 (0.40) AGTR1AGTR2
Trifluoroacetic Acid SCHEMBL15333815 0.67 FNTA (0.46) AGTR1AGTR2
SCHEMBL27562946 0.67 CYP1A2 (0.46) AGTR1AGTR2
SCHEMBL12583871 0.66 KMT2A (0.54) —
Trifluoroacetic Acid SCHEMBL8905207 0.66 AGTR1 (0.44) AGTR1AGTR2
Trifluoroacetic Acid SCHEMBL8394600 0.65 AGTR1 (0.43) AGTR1AGTR2
Trifluoroacetic Acid SCHEMBL8391303 0.64 AGTR1 (0.38) AGTR1AGTR2
Trifluoroacetic Acid SCHEMBL8391820 0.64 PTPN11 (0.43) AGTR1AGTR2
Trifluoroacetic Acid SCHEMBL8944849 0.64 AGTR1 (0.71) AGTR1AGTR2
Trifluoroacetic Acid SCHEMBL16699396 0.64 FNTA (0.46) AGTR1AGTR2

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-0429257-A2 Indole derivatives GLAXO GROUP LIMITED (GB) 1991-05-29 — — EP disclosed