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Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5205398

COc1ccccc1CNC(=O)CCC(=O)N(Cc1cc(OC)c(OC)c(OC)c1)c1ccccc1Oc1cccc(CN)c1.O=C(O)C(F)(F)F

nearest known ligand 0.44

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Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TSPO P30536 3/20 0.44
▸ HPGD P15428 1/20 0.42
▸ KMT2A Q03164 4/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.39
▸ POLB P06746 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 SCHEMBL5204269 0.95 KMT2A (0.43) TSPOHPGDKMT2AMEN1KDM4E
Trifluoroacetic Acid SCHEMBL5202690 0.95 ALDH1A1 (0.41) TSPOHPGDKMT2AMEN1RAB9A
Trifluoroacetic Acid SCHEMBL5201616 0.94 TSPO (0.39) TSPOHPGDKMT2AMEN1NPC1
Trifluoroacetic Acid SCHEMBL5206005 0.93 TSPO (0.47) TSPOHPGDKMT2AMEN1NPC1
Trifluoroacetic Acid SCHEMBL5205692 0.92 TSPO (0.39) TSPOKMT2AMEN1KDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL5208391 0.91 HCRTR2 (0.39) TSPOKMT2AKDM4EALDH1A1POLB
Trifluoroacetic Acid SCHEMBL5207958 0.90 SMN1; SMN2 (0.47) HPGDKMT2AMEN1KDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL5202153 0.89 TSPO (0.41) TSPOHPGDKMT2AMEN1NPC1
Trifluoroacetic Acid SCHEMBL5202498 0.88 EPHX2 (0.38) TSPOKDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL5208456 0.88 TSPO (0.40) TSPOHPGDKMT2AMEN1NPC1

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