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Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL8869696

N[C@@H](CS)CNc1ccc(Oc2ccc(C(=O)O)cc2)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.86

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Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 7/20 0.67
▸ FNTB P49356 7/20 0.67
▸ PGGT1B P53609 4/20 0.53
▸ ANPEP P15144 1/20 0.47
▸ ENPEP Q07075 1/20 0.47
▸ FAAH O00519 1/20 0.46
▸ EPHX2 P34913 1/20 0.46

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
SCHEMBL8868938 0.93 FNTA (0.77) FNTAFNTBPGGT1BANPEPENPEP
Trifluoroacetic Acid SCHEMBL8869539 0.89 FNTA (0.61) FNTAFNTBPGGT1B
Trifluoroacetic Acid SCHEMBL8869572 0.89 FNTA (0.53) FNTAFNTBPGGT1B
SCHEMBL8934722 0.81 FNTA (0.62) FNTAFNTBPGGT1B
SCHEMBL8870488 0.81 FNTA (0.60) FNTAFNTBPGGT1B
Trifluoroacetic Acid SCHEMBL8870778 0.81 FNTA (0.53) FNTAFNTBPGGT1BFAAHEPHX2
SCHEMBL8868864 0.81 FNTA (0.69) FNTAFNTBPGGT1B
SCHEMBL8097476 0.81 FNTA (1.00) FNTAFNTBPGGT1BANPEPENPEP
SCHEMBL7982907 0.78 FNTA (0.69) FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL7996767 0.76 FNTA (0.67) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5631280-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1997-05-20 — — US disclosed
WO-1996030014-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-10-03 — — WO disclosed