Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6416684

N#Cc1ccc(Cn2cncc2CN2CCN(c3cc(Cl)ccc3-c3ccccc3O)C(=O)C2)cc1F.O=C(O)C(F)(F)F

nearest known ligand 0.56

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Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FNTA P49354 20/20 0.56
PGGT1B P53609 17/20 0.56
FNTB P49356 14/20 0.56
NRAS P01111 1/20 0.51
HRAS P01112 1/20 0.51

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
SCHEMBL7163180 0.91 FNTA (0.57) FNTAPGGT1BFNTBNRASHRAS
Trifluoroacetic Acid SCHEMBL7161934 0.90 FNTA (0.55) FNTAPGGT1BFNTBNRASHRAS
SCHEMBL7167596 0.90 FNTA (0.56) FNTAPGGT1BFNTBNRASHRAS
SCHEMBL7164670 0.85 FNTA (0.62) FNTAPGGT1BFNTBNRASHRAS
SCHEMBL7161938 0.84 FNTA (0.56) FNTAPGGT1BFNTBNRASHRAS
Trifluoroacetic Acid SCHEMBL7166202 0.81 FNTA (0.52) FNTAPGGT1BFNTBNRASHRAS
SCHEMBL7164678 0.80 FNTA (0.61) FNTAPGGT1BFNTBNRASHRAS
Hydrochloric Acid SCHEMBL7163157 0.80 FNTA (0.63) FNTAPGGT1BFNTBNRASHRAS
SCHEMBL7532831 0.79 FNTA (0.78) FNTAPGGT1BFNTBNRASHRAS
Hydrochloric Acid SCHEMBL7653563 0.79 FNTA (0.77) FNTAPGGT1BFNTBNRASHRAS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1090012-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2005-04-06 EP disclosed
US-6562823-B1 Inhibition of farnesyl-protein transferase has been shown to block the growth of Ras-transformed cells in soft agar MERCK & CO., INC. 2003-05-13 US disclosed
EP-1090012-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2001-04-11 EP disclosed
WO-2000001702-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2000-01-13 WO disclosed