Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7040972

CCOC(=O)NCc1ccc(CN(C(=O)C(c2ccccc2)c2ccccc2)[C@H](CCCNC(=N)N)C(N)=O)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 18/20 0.38
NPFFR1 Q9GZQ6 2/20 0.36
NPY4R P50391 1/20 0.35
HDAC1 Q13547 1/20 0.35

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 SCHEMBL8528581 0.93 NPY1R (0.39) NPY1RNPFFR1NPY4R
Trifluoroacetic Acid SCHEMBL8528210 0.92 NPY1R (0.37) NPY1RNPFFR1NPY4RHDAC1
Trifluoroacetic Acid SCHEMBL4699162 0.91 PPID (0.45) NPY1RNPFFR1
Trifluoroacetic Acid SCHEMBL7043313 0.90 NPY1R (0.44) NPY1RNPFFR1NPY4R
Trifluoroacetic Acid SCHEMBL8529043 0.89 TDP1 (0.36) NPY1RNPFFR1NPY4R
Trifluoroacetic Acid SCHEMBL649619 0.89 NPY1R (0.43) NPY1RNPY4R
Trifluoroacetic Acid SCHEMBL7045238 0.89 NPY1R (0.43) NPY1RNPY4R
SCHEMBL8612537 0.89 NPY1R (0.42) NPY1RNPFFR1
Trifluoroacetic Acid SCHEMBL7038182 0.89 NPY1R (0.43) NPY1RNPFFR1NPY4R
Trifluoroacetic Acid SCHEMBL7044926 0.88 NPY1R (0.42) NPY1RNPFFR1NPY4R

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
EP-0885186-B1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM THOMAE GMBH DR K (DE) 2003-03-26 EP disclosed
EP-0885186-A1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM Dr. Karl Thomae GmbH (DE) 1998-12-23 EP disclosed
WO-1997019911-A1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM DR. KARL THOMAE GMBH (DE) 1997-06-05 WO disclosed