Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL8944675

CCCCCCN(C(N)=O)c1ccc2nc(CCCC)n(Cc3ccc(-c4ccccc4C(=O)O)cc3)c2c1.O=C(O)C(F)(F)F

nearest known ligand 0.65

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.62
AGTR1 P30556 2/20 0.62
AGTR2 P50052 2/20 0.62

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
SCHEMBL9042367 0.93 AGTR1 (0.65) PPARGAGTR1AGTR2
SCHEMBL8944606 0.93 AGTR1 (0.69) PPARGAGTR1AGTR2
Water SCHEMBL8391981 0.92 AGTR1 (0.64) PPARGAGTR1AGTR2
Trifluoroacetic Acid SCHEMBL8395784 0.91 AGTR1 (0.62) PPARGAGTR1AGTR2
SCHEMBL8396413 0.90 PPARG (0.70) PPARGAGTR1AGTR2
Trifluoroacetic Acid SCHEMBL8394597 0.88 AGTR1 (0.69) PPARGAGTR1AGTR2
SCHEMBL8393227 0.87 AGTR1 (0.67) PPARGAGTR1AGTR2
SCHEMBL8391179 0.86 AGTR1 (0.66) PPARGAGTR1AGTR2
SCHEMBL8396243 0.85 AGTR1 (0.65) PPARGAGTR1AGTR2
Trifluoroacetic Acid SCHEMBL8944516 0.85 AGTR1 (0.71) PPARGAGTR1AGTR2

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-5541229-A ANGIOITENSIN II ANTAGONIST AS HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-07-30 US disclosed