Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4795640

CC(=O)N1Cc2cc(-c3ccccc3CN)ccc2CCc2cc(Cl)ccc21.O=C(O)C(F)(F)F

nearest known ligand 0.88

Full drug profile on Sugi Atlas →

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 20/20 0.88

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
SCHEMBL6393688 0.94 HSD17B3 (1.00) HSD17B3
SCHEMBL4801126 0.90 HSD17B3 (0.92) HSD17B3
Trifluoroacetic Acid SCHEMBL4803128 0.85 HSD17B3 (0.75) HSD17B3
SCHEMBL4803100 0.85 HSD17B3 (1.00) HSD17B3
Trifluoroacetic Acid SCHEMBL4803186 0.85 HSD17B3 (0.87) HSD17B3
SCHEMBL4798240 0.83 HSD17B3 (0.79) HSD17B3
SCHEMBL4799858 0.82 HSD17B3 (0.80) HSD17B3
Trifluoroacetic Acid SCHEMBL4798233 0.81 HSD17B3 (0.69) HSD17B3
Trifluoroacetic Acid SCHEMBL4802517 0.81 HSD17B3 (0.81) HSD17B3
Trifluoroacetic Acid SCHEMBL4801457 0.80 HSD17B3 (0.67) HSD17B3

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-7417040-B2 Fused tricyclic compounds as inhibitors of 17β-hydroxysteroid dehydrogenase 3 BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-26 US disclosed