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Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL8147178

CCCC[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 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 13/20 0.54
▸ FNTB P49356 12/20 0.54
▸ PGGT1B P53609 2/20 0.54
▸ CYP19A1 P11511 2/20 0.34
▸ MC4R P32245 2/20 0.31
▸ MC1R Q01726 2/20 0.31

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
SCHEMBL3687066 0.94 FNTA (0.59) FNTAFNTBPGGT1BCYP19A1
SCHEMBL445626 0.94 FNTA (0.59) FNTAFNTBPGGT1BCYP19A1
Trifluoroacetic Acid SCHEMBL7751305 0.91 FNTA (0.44) FNTAFNTBPGGT1BCYP19A1
SCHEMBL445939 0.89 FNTA (0.51) FNTAFNTBPGGT1BCYP19A1MC4R
SCHEMBL5131468 0.89 FNTA (0.51) FNTAFNTBPGGT1BCYP19A1MC4R
Hydrochloric Acid SCHEMBL8160943 0.88 FNTA (0.51) FNTAFNTBPGGT1BCYP19A1MC4R
Hydrochloric Acid SCHEMBL8541088 0.88 FNTA (0.51) FNTAFNTBPGGT1BCYP19A1MC4R
Trifluoroacetic Acid SCHEMBL8162228 0.86 FNTA (0.43) FNTAFNTBPGGT1BCYP19A1MC4R
SCHEMBL3499540 0.85 FNTA (0.48) FNTAFNTBPGGT1BCYP19A1
SCHEMBL3682663 0.85 FNTA (0.48) FNTAFNTBPGGT1BCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6060038-A Radiolabeled farnesyl-protein transferase inhibitors MERCK & CO., INC. (US) 2000-05-09 — — US disclosed
WO-2000016778-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 2000-03-30 — — WO disclosed
US-5856326-A ANTITUMOR, ANTICANCER AGENTS MERCK & CO., INC. (US) 1999-01-05 — — US disclosed
EP-0820445-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1998-01-28 — — EP disclosed
WO-1996030343-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-10-03 — — WO disclosed