Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7318510

CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNCC(N)CCCNC(=N)N)C(=O)O.O=C(O)C(F)(F)F.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 10)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 10/20 0.42
KEAP1 Q14145 2/20 0.36
ITGB1 P05556 1/20 0.36
ITGA4 P13612 1/20 0.36
NPY1R P25929 5/20 0.36
NPY2R P49146 5/20 0.36
NPY5R Q15761 5/20 0.36
IL23R Q5VWK5 5/20 0.35
OPRL1 P41146 1/20 0.33
TFPI P10646 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
SCHEMBL9614819 0.95 NPY4R (0.37) NPY4RKEAP1NPY1RNPY2RNPY5R
Trifluoroacetic Acid SCHEMBL7437664 0.84 NPY4R (0.44) NPY4RKEAP1ITGB1ITGA4NPY1R
Trifluoroacetic Acid SCHEMBL9614803 0.83 NPY4R (0.48) NPY4RITGB1ITGA4NPY1RNPY2R
Trifluoroacetic Acid SCHEMBL9614815 0.82 NPY4R (0.49) NPY4RITGB1ITGA4NPY1RNPY2R
Trifluoroacetic Acid SCHEMBL9614791 0.82 NPY4R (0.49) NPY4RITGB1ITGA4NPY1RNPY2R
Trifluoroacetic Acid SCHEMBL9614806 0.82 NPY4R (0.49) NPY4RITGB1ITGA4NPY1RNPY2R
SCHEMBL29598552 0.81 NPY4R (0.41) NPY4RKEAP1NPY1RNPY2RNPY5R
Trifluoroacetic Acid SCHEMBL9614816 0.81 NPY4R (0.39) NPY4RKEAP1ITGB1ITGA4NPY1R
Trifluoroacetic Acid SCHEMBL9614798 0.80 EPHX2 (0.41) NPY4RITGB1ITGA4
SCHEMBL29536042 0.80 GNPAT (0.44) NPY4RKEAP1NPY1RNPY2RNPY5R

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 4 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
WO-1991004746-A1 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1991-04-18 WO disclosed
US-4952562-A TREATMENT OF CARDIOVASCULAR DISORDERS RORER PHARMACEUTICAL CORPORATION (US) 1990-08-28 US disclosed