Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5205764

NCc1cccc(Oc2ccccc2N(Cc2ccc(-c3cccs3)cc2)C(=O)CCC(=O)NC2CCc3ccccc32)c1.O=C(O)C(F)(F)F

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CFD P00746 2/20 0.35
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CETP P11597 1/20 0.33
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
HTR2A P28223 1/20 0.32
P2RX3 P56373 2/20 0.32
P2RX2 Q9UBL9 2/20 0.32
DHODH Q02127 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 SCHEMBL5206411 0.92 HCRTR1 (0.39) CFDHCRTR1HCRTR2SMN1; SMN2MEN1
Trifluoroacetic Acid SCHEMBL5206105 0.92 CFD (0.38) CFDHCRTR1HCRTR2SMN1; SMN2MEN1
Trifluoroacetic Acid SCHEMBL5205258 0.91 TAOK1 (0.39) CFDHCRTR1HCRTR2SMN1; SMN2MEN1
Trifluoroacetic Acid SCHEMBL5203009 0.91 HCRTR1 (0.36) CFDHCRTR1HCRTR2SMN1; SMN2MEN1
Trifluoroacetic Acid SCHEMBL5202626 0.90 ALDH1A1 (0.42) CFDHCRTR1HCRTR2SMN1; SMN2MEN1
Trifluoroacetic Acid SCHEMBL5206323 0.89 HCRTR1 (0.36) CFDHCRTR1HCRTR2SMN1; SMN2MEN1
Trifluoroacetic Acid SCHEMBL5202194 0.89 HCRTR1 (0.43) CFDHCRTR1HCRTR2SMN1; SMN2MEN1
Trifluoroacetic Acid SCHEMBL5208028 0.89 HCRTR1 (0.36) CFDHCRTR1HCRTR2SMN1; SMN2MEN1
Trifluoroacetic Acid SCHEMBL5208452 0.89 HCRTR1 (0.36) CFDHCRTR1HCRTR2SMN1; SMN2MEN1
Trifluoroacetic Acid SCHEMBL5203743 0.89 CFD (0.39) CFDHCRTR1HCRTR2SMN1; SMN2DHODH

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