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Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1730706

CC(=O)N1CCN(C(=O)Nc2ccc(N3CCC(N4CCCC4C)C3)c(C)c2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.88

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Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 20/20 0.88
▸ CYP3A4 P08684 1/20 0.45

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
Trifluoroacetic Acid SCHEMBL1730409 0.94 HRH3 (0.77) HRH3
SCHEMBL1729765 0.94 HRH3 (1.00) HRH3CYP3A4
Trifluoroacetic Acid SCHEMBL1727893 0.93 HRH3 (0.88) HRH3
Trifluoroacetic Acid SCHEMBL1730317 0.88 HRH3 (0.71) HRH3
SCHEMBL1728296 0.87 HRH3 (0.87) HRH3CYP3A4
Trifluoroacetic Acid SCHEMBL1728097 0.87 HRH3 (0.87) HRH3CYP3A4
SCHEMBL1729723 0.87 HRH3 (1.00) HRH3CYP3A4
Trifluoroacetic Acid SCHEMBL1728301 0.86 HRH3 (0.89) HRH3
Trifluoroacetic Acid SCHEMBL222825 0.86 HRH3 (0.65) HRH3CYP3A4
Trifluoroacetic Acid SCHEMBL2424050 0.85 HRH3 (0.64) HRH3

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-2215058-B1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE UREAS AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2011-11-23 — — EP disclosed