Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7751305

COCC[C@H]1CN(c2cccc(C)c2C)C(=O)CN1C(Cc1ccc(C#N)cc1)c1cnc[nH]1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FNTA P49354 11/20 0.44
FNTB P49356 11/20 0.44
PGGT1B P53609 1/20 0.44
CYP19A1 P11511 2/20 0.32
NR1H4 Q96RI1 1/20 0.30
CTNNB1 P35222 1/20 0.30
TCF7L2 Q9NQB0 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 1/20 0.30

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
SCHEMBL3499540 0.95 FNTA (0.48) FNTAFNTBPGGT1BCYP19A1NR1H4
SCHEMBL3682663 0.95 FNTA (0.48) FNTAFNTBPGGT1BCYP19A1NR1H4
Trifluoroacetic Acid SCHEMBL8147178 0.91 FNTA (0.54) FNTAFNTBPGGT1BCYP19A1
SCHEMBL445626 0.85 FNTA (0.59) FNTAFNTBPGGT1BCYP19A1
SCHEMBL3687066 0.85 FNTA (0.59) FNTAFNTBPGGT1BCYP19A1
SCHEMBL5553376 0.81 FNTA (0.40) FNTAFNTBPGGT1BCYP19A1
Trifluoroacetic Acid SCHEMBL8447777 0.81 FNTA (0.36) FNTAFNTBPGGT1BCYP19A1
SCHEMBL445939 0.80 FNTA (0.51) FNTAFNTBPGGT1BCYP19A1NR1H4
SCHEMBL5131468 0.80 FNTA (0.51) FNTAFNTBPGGT1BCYP19A1NR1H4
Trifluoroacetic Acid SCHEMBL8162228 0.79 FNTA (0.43) FNTAFNTBPGGT1BCYP19A1CTNNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0906099-A4 A METHOD OF TREATING CANCER MERCK & CO INC (US) 2001-02-07 EP disclosed
EP-0952842-A2 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 1999-11-03 EP disclosed
EP-0934270-A1 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 1999-08-11 EP disclosed
EP-0906099-A1 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 1999-04-07 EP disclosed
EP-0820445-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1998-01-28 EP disclosed
WO-1997045412-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1997-12-04 WO disclosed
WO-1997038664-A2 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1997-10-23 WO disclosed
WO-1997036587-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1997-10-09 WO disclosed
WO-1996030343-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-10-03 WO disclosed