Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7850384

COCC1(Cc2cccc(C#N)c2)CCN(Cc2cnc(C)n2Cc2ccc(C#N)cc2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FNTA P49354 9/20 0.56
FNTB P49356 9/20 0.56
PGGT1B P53609 9/20 0.56
CYP3A4 P08684 5/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
USP2 O75604 4/20 0.40
TSHR P16473 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP2D6 P10635 3/20 0.39
CYP1A2 P05177 2/20 0.39
MEN1 O00255 1/20 0.38
CYP2C9 P11712 1/20 0.38
KMT2A Q03164 1/20 0.38
GPR6 P46095 1/20 0.38

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
SCHEMBL7840048 0.92 FNTA (0.56) FNTAFNTBPGGT1BCYP3A4ALDH1A1
SCHEMBL7840536 0.88 FNTA (0.54) FNTAFNTBPGGT1BCYP3A4ALDH1A1
Trifluoroacetic Acid SCHEMBL7841379 0.87 FNTA (0.53) FNTAFNTBPGGT1BCYP3A4ALDH1A1
SCHEMBL7974415 0.87 FNTA (0.52) FNTAFNTBPGGT1BCYP3A4ALDH1A1
Hydrochloric Acid SCHEMBL7848662 0.87 FNTA (0.52) FNTAFNTBPGGT1BCYP3A4ALDH1A1
SCHEMBL7960947 0.86 FNTA (0.56) FNTAFNTBPGGT1BCYP3A4ALDH1A1
SCHEMBL7838097 0.84 FNTA (0.55) FNTAFNTBPGGT1BALDH1A1MAPK1
Trifluoroacetic Acid SCHEMBL7830252 0.83 FNTA (0.54) FNTAFNTBPGGT1BCYP3A4ALDH1A1
Trifluoroacetic Acid SCHEMBL7837600 0.81 FNTA (0.52) FNTAFNTBPGGT1BCYP3A4ALDH1A1
SCHEMBL7839160 0.81 NPSR1 (0.53) FNTAFNTBPGGT1BCYP3A4ALDH1A1

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-0944388-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-08-16 EP disclosed
US-6248756-B1 Inhibitors of farnesyl-protein transferase MERCK & CO., INC. 2001-06-19 US disclosed
EP-0944388-A2 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-09-29 EP disclosed
WO-1997038665-A2 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-23 WO disclosed