Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4696798

COC(=O)C(C)COc1nc(C)c(C(=O)N2CC3CN(CC[C@@H](NC(=O)C4CCCC4)c4ccccc4)CC3C2)c(C)n1.O=C(O)C(F)(F)F

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.67

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
SCHEMBL4699749 0.96 CCR5 (0.73) CCR5
SCHEMBL4699750 0.96 CCR5 (0.73) CCR5
SCHEMBL4697063 0.86 CCR5 (0.71) CCR5
SCHEMBL4696732 0.86 CCR5 (0.71) CCR5
SCHEMBL4696728 0.86 CCR5 (0.71) CCR5
SCHEMBL4696894 0.85 CCR5 (0.75) CCR5
SCHEMBL4696896 0.85 CCR5 (0.75) CCR5
SCHEMBL3289105 0.85 CCR5 (0.77) CCR5
SCHEMBL3289096 0.85 CCR5 (0.77) CCR5
SCHEMBL4697080 0.85 CCR5 (0.71) CCR5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1987036-A1 HETERO-BYCYCLIC ANTIVIRAL COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2008-11-05 EP disclosed
WO-2007093520-A1 HETERO-BYCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-23 WO disclosed