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Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5208207

CC(=O)Nc1ccc(CN(C(=O)CCC(=O)NC2CCc3ccccc32)c2ccccc2Oc2cccc(CN)c2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 2/20 0.37
▸ HCRTR2 O43614 1/20 0.37
▸ KMT2A Q03164 4/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CFD P00746 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ MAPT P10636 1/20 0.34

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
Trifluoroacetic Acid SCHEMBL5202523 0.94 CFD (0.38) HCRTR1HCRTR2KMT2AMEN1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL5206411 0.93 HCRTR1 (0.39) HCRTR1HCRTR2KMT2AMEN1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL5205258 0.92 TAOK1 (0.39) HCRTR1HCRTR2KMT2AMEN1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL5202074 0.91 TAOK1 (0.39) HCRTR1HCRTR2KMT2AMEN1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL5206105 0.90 CFD (0.38) HCRTR1HCRTR2KMT2AMEN1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL5202626 0.90 ALDH1A1 (0.42) HCRTR1HCRTR2KMT2AMEN1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL5202445 0.89 DHODH (0.39) HCRTR1HCRTR2KMT2AMEN1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL5202194 0.89 HCRTR1 (0.43) HCRTR1HCRTR2KMT2AMEN1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL5208452 0.89 HCRTR1 (0.36) HCRTR1HCRTR2KMT2AMEN1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL5208028 0.89 HCRTR1 (0.36) HCRTR1HCRTR2KMT2AMEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7160887-B1 Aromatic amine derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-09 — — US disclosed
EP-1123918-B1 AROMATIC AMINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS CONTAINING THE SAME TAKEDA PHARMACEUTICAL (JP) 2005-03-09 — — EP disclosed
EP-1123918-A1 AROMATIC AMINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS CONTAINING THE SAME Takeda Chemical Industries, Ltd. (JP) 2001-08-16 — — EP disclosed