Sugi Predict

Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL9005963

CSCC[C@H](CC(=O)O)NC(=O)c1cccc(CN(Cc2ccc([N+](=O)[O-])cc2)Cc2ccc([N+](=O)[O-])cc2)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.70

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 15/20 0.70
▸ FNTB P49356 15/20 0.70
▸ PGGT1B P53609 2/20 0.46
▸ NPC1 O15118 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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 SCHEMBL8936971 0.88 FNTA (0.90) FNTAFNTBPGGT1B
SCHEMBL8937074 0.83 FNTA (1.00) FNTAFNTBPGGT1B
SCHEMBL8937055 0.83 FNTA (1.00) FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL8937046 0.82 FNTA (0.98) FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL8937034 0.82 FNTA (0.98) FNTAFNTBPGGT1B
Trifluoroacetic Acid SCHEMBL8937045 0.80 FNTA (0.74) FNTAFNTBPGGT1B
SCHEMBL8936964 0.79 FNTA (0.83) FNTAFNTBPGGT1B
SCHEMBL8936962 0.79 FNTA (0.83) FNTAFNTBPGGT1B
Trifluoroacetic Acid SCHEMBL8590032 0.78 FNTA (0.64) FNTAFNTBPGGT1B
SCHEMBL8936970 0.78 FNTA (0.90) FNTAFNTBPGGT1B

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-5534537-A Prodrugs of inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1996-07-09 — — US disclosed