Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7980959

N#Cc1ccc(Cn2cncc2CN)cc1Oc1ccccc1Cl.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FNTA P49354 20/20 0.56
FNTB P49356 20/20 0.56
PGGT1B P53609 18/20 0.56

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
SCHEMBL3500176 0.91 FNTA (0.62) FNTAFNTBPGGT1B
SCHEMBL3501417 0.84 FNTA (0.62) FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL7980481 0.83 FNTA (0.61) FNTAFNTBPGGT1B
SCHEMBL3501397 0.82 FNTA (0.58) FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL7970012 0.81 FNTA (0.57) FNTAFNTBPGGT1B
SCHEMBL3501648 0.78 FNTA (0.64) FNTAFNTBPGGT1B
SCHEMBL3498656 0.72 FNTA (1.00) FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL7590796 0.71 FNTA (0.98) FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL7982028 0.70 CYP11B1 (0.46)
Hydrochloric Acid SCHEMBL6434100 0.70 CYP11B1 (0.46)

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-6297239-B1 Inhibitors of prenyl-protein transferase MERCK & CO., INC. 2001-10-02 US disclosed