Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5205271

NCc1cccc(Oc2ccccc2N(Cc2ccc(-c3ccsc3)cc2)C(=O)CCC(=O)NCc2ccccc2F)c1.O=C(O)C(F)(F)F

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
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
KDM4E B2RXH2 1/20 0.34
PLAU P00749 2/20 0.34
F2 P00734 1/20 0.33
F3 P13726 1/20 0.33
LPAR1 Q92633 1/20 0.33
LPAR5 Q9H1C0 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TPSAB1 Q15661 2/20 0.33
PLG P00747 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 SCHEMBL5203101 0.94 TDP1 (0.36) TDP1F2F3TPSAB1
Trifluoroacetic Acid SCHEMBL5205829 0.92 SSTR5 (0.39) SSTR5TDP1ALDH1A1LMNAPOLB
Trifluoroacetic Acid SCHEMBL5204427 0.91 ALDH1A1 (0.41) SSTR5ALDH1A1LMNAPOLBHTT
Trifluoroacetic Acid SCHEMBL5205845 0.90 HDAC1 (0.36) SSTR5TDP1ALDH1A1LMNAPOLB
Trifluoroacetic Acid SCHEMBL5204867 0.90 ALDH1A1 (0.42) SSTR5ALDH1A1LMNAPOLBHTT
Trifluoroacetic Acid SCHEMBL5205760 0.90 ALDH1A1 (0.39) ALDH1A1LMNAPOLBHTTNPSR1
Hydrochloric Acid SCHEMBL5203571 0.89 SSTR5 (0.43) SSTR5ALDH1A1LMNAPOLBHTT
Trifluoroacetic Acid SCHEMBL5208934 0.89 ALDH1A1 (0.43) SSTR5ALDH1A1LMNAPOLBHTT
Trifluoroacetic Acid SCHEMBL5208227 0.89 BACE1 (0.44) SSTR5ALDH1A1LMNAPOLBHTT
Trifluoroacetic Acid SCHEMBL5201733 0.89 ALDH1A1 (0.38) SSTR5ALDH1A1LMNAPOLBHTT

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