Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL9199026

N=C(N)NCCC[C@H](C(N)=O)N(Cc1ccc(CN)cc1)C(=O)C(c1ccccc1)c1ccccc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 11/20 0.38
NPY4R P50391 3/20 0.38
TDP1 Q9NUW8 1/20 0.35
TACR1 P25103 1/20 0.34
TRPM8 Q7Z2W7 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 SCHEMBL7045238 0.91 NPY1R (0.43) NPY1RNPY4R
Trifluoroacetic Acid SCHEMBL6900003 0.91 NPY4R (0.37) NPY1RNPY4RTDP1TACR1
Trifluoroacetic Acid SCHEMBL649619 0.91 NPY1R (0.43) NPY1RNPY4R
Trifluoroacetic Acid SCHEMBL7043313 0.90 NPY1R (0.44) NPY1RNPY4R
Trifluoroacetic Acid SCHEMBL8526213 0.89 TPSAB1 (0.45) NPY1R
Trifluoroacetic Acid SCHEMBL7037784 0.89 TDP1 (0.41) NPY1RNPY4RTDP1TACR1
SCHEMBL1389118 0.88 CNR1 (0.41) TDP1
SCHEMBL30905434 0.88 CNR1 (0.41) TDP1
Trifluoroacetic Acid SCHEMBL8525691 0.88 NPY1R (0.39) NPY1RNPY4RTDP1
Trifluoroacetic Acid SCHEMBL7044926 0.88 NPY1R (0.42) NPY1RNPY4R

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-0680469-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME Dr. Karl Thomae GmbH (DE) 1995-11-08 EP disclosed
WO-1994017035-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME DR. KARL THOMAE GMBH (DE) 1994-08-04 WO disclosed