Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL9614816

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

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 14/20 0.39
NPY1R P25929 6/20 0.36
NPY2R P49146 5/20 0.36
NPY5R Q15761 5/20 0.36
ITGB1 P05556 1/20 0.35
ITGA4 P13612 1/20 0.35
KEAP1 Q14145 1/20 0.34
TACR3 P29371 1/20 0.32
EPHA2 P29317 1/20 0.32
OPRD1 P41143 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
SCHEMBL7307844 0.95 NPY4R (0.37) NPY4RNPY1RNPY2RNPY5RKEAP1
Hydrochloric Acid SCHEMBL7346009 0.94 NPY4R (0.37) NPY4RNPY1RNPY2RNPY5RKEAP1
Trifluoroacetic Acid SCHEMBL7437664 0.86 NPY4R (0.44) NPY4RNPY1RNPY2RNPY5RITGB1
Trifluoroacetic Acid SCHEMBL9614803 0.82 NPY4R (0.48) NPY4RNPY1RNPY2RNPY5RITGB1
Trifluoroacetic Acid SCHEMBL7318510 0.81 NPY4R (0.42) NPY4RNPY1RNPY2RNPY5RITGB1
Trifluoroacetic Acid SCHEMBL9614815 0.81 NPY4R (0.49) NPY4RNPY1RNPY2RNPY5RITGB1
Trifluoroacetic Acid SCHEMBL9614806 0.81 NPY4R (0.49) NPY4RNPY1RNPY2RNPY5RITGB1
Trifluoroacetic Acid SCHEMBL9614791 0.81 NPY4R (0.49) NPY4RNPY1RNPY2RNPY5RITGB1
SCHEMBL30797917 0.81 NPY4R (0.46) NPY4RNPY1RNPY2RNPY5R
SCHEMBL7306013 0.81 NPY4R (0.46) NPY4RNPY1RNPY2RNPY5R

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-0494248-A4 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES 1992-08-26 EP disclosed
EP-0494248-A1 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-07-15 EP disclosed