Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5203101

NCc1cccc(Oc2ccccc2N(Cc2ccc(-c3ccsc3)cc2)C(=O)CCC(=O)NCc2ccccc2C(F)(F)F)c1.O=C(O)C(F)(F)F

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36
TAOK1 Q7L7X3 1/20 0.35
TAOK3 Q9H2K8 1/20 0.35
EPHX2 P34913 4/20 0.34
F2 P00734 1/20 0.33
F3 P13726 1/20 0.33
TPSAB1 Q15661 2/20 0.33
RORC P51449 1/20 0.33
MAP2K7 O14733 1/20 0.33
P2RX4 Q99571 1/20 0.33
PPARG P37231 1/20 0.33

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 SCHEMBL5205271 0.94 SSTR5 (0.36) TDP1F2F3TPSAB1
Trifluoroacetic Acid SCHEMBL5205650 0.92 TAOK1 (0.38) TDP1TAOK1TAOK3EPHX2TPSAB1
Trifluoroacetic Acid SCHEMBL5202498 0.91 EPHX2 (0.38) TDP1EPHX2TPSAB1MAP2K7P2RX4
Trifluoroacetic Acid SCHEMBL5204263 0.90 HDAC1 (0.37) TDP1TAOK1TAOK3EPHX2TPSAB1
Trifluoroacetic Acid SCHEMBL5205396 0.90 TSPO (0.41) TDP1TAOK1TAOK3EPHX2
Trifluoroacetic Acid SCHEMBL5202054 0.89 TSPO (0.39) EPHX2TPSAB1PPARG
Trifluoroacetic Acid SCHEMBL5208369 0.89 BACE1 (0.45) TAOK1TAOK3EPHX2TPSAB1
Trifluoroacetic Acid SCHEMBL5204683 0.88 DGAT2 (0.41) TDP1TAOK1TAOK3EPHX2
Trifluoroacetic Acid SCHEMBL5208213 0.88 TAOK1 (0.37) TDP1TAOK1TAOK3EPHX2TPSAB1
Trifluoroacetic Acid SCHEMBL5208081 0.87 EPHX2 (0.37) TDP1TAOK1TAOK3EPHX2TPSAB1

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