Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL8526449

CN(C(=O)[C@@H](N)CCCNC(=N)N)c1ccccc1.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 14/20 0.41
NPY1R P25929 6/20 0.39
NPY2R P49146 4/20 0.39
NPY5R Q15761 4/20 0.39
KMT2A Q03164 1/20 0.37
CXCR3 P49682 1/20 0.36
ANPEP P15144 1/20 0.36
RNPEP Q9H4A4 1/20 0.36
DNPEP Q9ULA0 1/20 0.36
CIT O14578 1/20 0.35
POLQ O75417 1/20 0.34

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 SCHEMBL7442422 0.77 NPY4R (0.42) NPY4RNPY1RNPY2RNPY5RKMT2A
SCHEMBL7445644 0.77 NPY4R (0.35) NPY4RNPY1RNPY2RNPY5RANPEP
Arginine SCHEMBL29664038 0.76 OTC (0.48) NPY4RKMT2A
Trifluoroacetic Acid SCHEMBL31651399 0.76 NPY4R (0.40) NPY4RNPY1RNPY2RNPY5R
Arginine SCHEMBL7443448 0.76 OTC (0.48) NPY4RKMT2A
Arginine SCHEMBL7432633 0.76 OTC (0.48) NPY4RKMT2A
SCHEMBL7888149 0.76 NOS1 (0.40) NPY4RNPY1RNPY2RNPY5RANPEP
Hydrochloric Acid SCHEMBL7876078 0.75 NOS1 (0.39) NPY4RNPY1RNPY2RNPY5RANPEP
SCHEMBL8584832 0.74 NPY1R (0.46) NPY4RNPY1RNPY2RNPY5R
SCHEMBL9952947 0.73 NOS3 (0.41) NPY4RNPY1RNPY2RNPY5RKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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