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Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL8447777

COCC[C@H]1CN(c2cccc(C)c2C)C(=O)C(C(Cc2ccc(C#N)cc2)c2cnc[nH]2)N1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.36

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Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 7/20 0.36
▸ FNTB P49356 7/20 0.36
▸ PGGT1B P53609 1/20 0.35
▸ CYP19A1 P11511 2/20 0.32
▸ MC4R P32245 2/20 0.30
▸ MC1R Q01726 2/20 0.30
▸ TP53 P04637 1/20 0.30
▸ MDM2 Q00987 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
SCHEMBL8456034 0.95 FNTA (0.39) FNTAFNTBPGGT1BCYP19A1MC4R
Trifluoroacetic Acid SCHEMBL7751305 0.81 FNTA (0.44) FNTAFNTBPGGT1BCYP19A1
Trifluoroacetic Acid SCHEMBL8162228 0.75 FNTA (0.43) FNTAFNTBPGGT1BCYP19A1MC4R
SCHEMBL3682663 0.75 FNTA (0.48) FNTAFNTBPGGT1BCYP19A1TP53
SCHEMBL3499540 0.75 FNTA (0.48) FNTAFNTBPGGT1BCYP19A1TP53
Trifluoroacetic Acid SCHEMBL8147178 0.74 FNTA (0.54) FNTAFNTBPGGT1BCYP19A1MC4R
SCHEMBL5553376 0.71 FNTA (0.40) FNTAFNTBPGGT1BCYP19A1TP53
Hydrochloric Acid SCHEMBL7815715 0.70 FNTA (0.43) FNTAFNTBPGGT1BCYP19A1TP53
SCHEMBL7453424 0.69 FNTA (0.53) FNTAFNTBPGGT1BCYP19A1TP53
SCHEMBL7749673 0.68 FNTA (0.53) FNTAFNTBPGGT1BCYP19A1TP53

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-5856326-A ANTITUMOR, ANTICANCER AGENTS MERCK & CO., INC. (US) 1999-01-05 — — US disclosed