Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5201717

NCc1cccc(Oc2ccccc2N(Cc2ccc(-c3cccc(C=O)c3)cc2)C(=O)CCC(=O)NCc2ccccc2F)c1.O=C(O)C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 1/20 0.39
PLAU P00749 3/20 0.37
HTR5A P47898 1/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PLG P00747 1/20 0.34
KDM4E B2RXH2 1/20 0.34
F10 P00742 1/20 0.33
F7 P08709 1/20 0.33
F3 P13726 1/20 0.33
BACE1 P56817 1/20 0.33
NR1H4 Q96RI1 1/20 0.32
TPSAB1 Q15661 2/20 0.32
AHCY P23526 1/20 0.32

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 SCHEMBL5208081 0.94 EPHX2 (0.37) SSTR5PLAUHTR5AALDH1A1HTT
Trifluoroacetic Acid SCHEMBL5205829 0.92 SSTR5 (0.39) SSTR5PLAUALDH1A1LMNAPOLB
Trifluoroacetic Acid SCHEMBL5208934 0.91 ALDH1A1 (0.43) SSTR5PLAUHTR5AALDH1A1LMNA
Trifluoroacetic Acid SCHEMBL5208227 0.91 BACE1 (0.44) SSTR5PLAUALDH1A1LMNAPOLB
Trifluoroacetic Acid SCHEMBL5204427 0.90 ALDH1A1 (0.41) SSTR5PLAUALDH1A1LMNAPOLB
Hydrochloric Acid SCHEMBL5203571 0.90 SSTR5 (0.43) SSTR5PLAUALDH1A1LMNAPOLB
Trifluoroacetic Acid SCHEMBL5204867 0.89 ALDH1A1 (0.42) SSTR5PLAUHTR5AALDH1A1LMNA
Trifluoroacetic Acid SCHEMBL5205760 0.89 ALDH1A1 (0.39) PLAUALDH1A1LMNAPOLBHTT
Trifluoroacetic Acid SCHEMBL5202455 0.88 MCHR1 (0.39) SSTR5PLAUALDH1A1LMNAPOLB
Trifluoroacetic Acid SCHEMBL5201733 0.88 ALDH1A1 (0.38) SSTR5PLAUHTR5AALDH1A1LMNA

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