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Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4696382

Cc1cc[n+]([O-])c(C)c1C(=O)N1CC2CN(CCC(NC(=O)NC(C)C)c3ccccc3)C[C@H]2C1.O=C(O)C(F)(F)F

nearest known ligand 0.71

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Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 20/20 0.71

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
SCHEMBL4754421 0.95 CCR5 (0.78) CCR5
Trifluoroacetic Acid SCHEMBL5237694 0.91 CCR5 (0.68) CCR5
Cyclopentane SCHEMBL4694764 0.88 CCR5 (0.83) CCR5
Trifluoroacetic Acid SCHEMBL4693459 0.87 CCR5 (0.71) CCR5
SCHEMBL4750791 0.85 CCR5 (0.74) CCR5
SCHEMBL3282812 0.85 CCR5 (0.74) CCR5
Trifluoroacetic Acid SCHEMBL4694463 0.85 CCR5 (0.64) CCR5
SCHEMBL4694208 0.85 CCR5 (0.80) CCR5
SCHEMBL4694212 0.85 CCR5 (0.80) CCR5
SCHEMBL14591182 0.82 CCR5 (0.72) 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-1761542-B1 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS HOFFMANN LA ROCHE (CH) 2008-01-02 — — EP claimed
EP-1761542-B1 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS HOFFMANN LA ROCHE (CH) 2008-01-02 — — EP disclosed