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Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5206005

COc1ccccc1CNC(=O)CCC(=O)N(Cc1ccc(Oc2ccccc2)cc1)c1ccccc1Oc1cccc(CN)c1.O=C(O)C(F)(F)F

nearest known ligand 0.47

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Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TSPO P30536 5/20 0.47
▸ KMT2A Q03164 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ HPGD P15428 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ NR3C1 P04150 1/20 0.39

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 SCHEMBL5205398 0.93 TSPO (0.44) TSPOKMT2AMEN1ALDH1A1KDM4E
Trifluoroacetic Acid SCHEMBL5202054 0.92 TSPO (0.39) TSPONR3C1
Trifluoroacetic Acid SCHEMBL5202153 0.92 TSPO (0.41) TSPOKMT2AMEN1ALDH1A1KDM4E
Trifluoroacetic Acid SCHEMBL5205760 0.92 ALDH1A1 (0.39) TSPOALDH1A1KDM4ENR3C1
Trifluoroacetic Acid SCHEMBL5205999 0.92 ALDH1A1 (0.46) TSPOKMT2AMEN1ALDH1A1NPC1
Trifluoroacetic Acid SCHEMBL5208616 0.90 TSPO (0.38) TSPOKMT2AMEN1NR3C1
Trifluoroacetic Acid SCHEMBL5205396 0.90 TSPO (0.41) TSPOKMT2AMEN1ALDH1A1KDM4E
Trifluoroacetic Acid SCHEMBL5204867 0.89 ALDH1A1 (0.42) TSPOKMT2AMEN1ALDH1A1KDM4E
Trifluoroacetic Acid SCHEMBL5202498 0.89 EPHX2 (0.38) TSPOALDH1A1KDM4E
Trifluoroacetic Acid SCHEMBL5204269 0.89 KMT2A (0.43) TSPOKMT2AMEN1ALDH1A1KDM4E

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