Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7442422

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

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 7/20 0.42
NPY1R P25929 4/20 0.42
S1PR1 P21453 4/20 0.40
S1PR3 Q99500 4/20 0.40
S1PR2 O95136 3/20 0.40
S1PR5 Q9H228 3/20 0.40
NPY2R P49146 3/20 0.36
NPY5R Q15761 3/20 0.36
PDF Q9HBH1 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
OTC P00480 1/20 0.35
TSHR P16473 1/20 0.33
DDAH1 O94760 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33

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
SCHEMBL2172217 0.90 NPY4R (0.45) NPY4RNPY1RNPY2RNPY5RDPP7
SCHEMBL157856 0.90 NPY4R (0.45) NPY4RNPY1RNPY2RNPY5RDPP7
SCHEMBL42488 0.90 NPY4R (0.45) NPY4RNPY1RNPY2RNPY5RDPP7
Acetic Acid SCHEMBL29129249 0.88 NPY4R (0.43) NPY4RNPY1RNPY2RNPY5RDPP7
Guanidine SCHEMBL8907224 0.88 NPY4R (0.44) NPY4RNPY1RNPY2RNPY5RDPP7
Hydrochloric Acid SCHEMBL866931 0.88 NPY4R (0.44) NPY4RNPY1RNPY2RNPY5RDPP7
Hydrochloric Acid SCHEMBL940540 0.88 NPY4R (0.44) NPY4RNPY1RNPY2RNPY5RDPP7
Hydrochloric Acid SCHEMBL2762373 0.88 NPY4R (0.44) NPY4RNPY1RNPY2RNPY5RDPP7
Urea SCHEMBL6812514 0.88 NPY4R (0.44) NPY4RNPY1RNPY2RNPY5RDPP7
Hydrochloric Acid SCHEMBL940539 0.88 NPY4R (0.44) NPY4RNPY1RNPY2RNPY5RDPP7

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-0577775-A4 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES. RHONE POULENC RORER INT (US) 1995-01-11 EP disclosed
EP-0577775-A1 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1994-01-12 EP disclosed
WO-1992017196-A1 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-10-15 WO disclosed