Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL9614815

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

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 8/20 0.49
ITGB1 P05556 1/20 0.42
ITGA4 P13612 1/20 0.42
EPHX2 P34913 4/20 0.41
PTPN1 P18031 3/20 0.41
NPY5R Q15761 6/20 0.41
NPY1R P25929 5/20 0.41
NPY2R P49146 3/20 0.41
ITGB3 P05106 2/20 0.38
ITGA2B P08514 2/20 0.38

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 SCHEMBL9614806 1.00 NPY4R (0.49) NPY4RITGB1ITGA4EPHX2PTPN1
Trifluoroacetic Acid SCHEMBL9614791 1.00 NPY4R (0.49) NPY4RITGB1ITGA4EPHX2PTPN1
Trifluoroacetic Acid SCHEMBL9614803 0.99 NPY4R (0.48) NPY4RITGB1ITGA4EPHX2PTPN1
SCHEMBL7442006 0.94 EPHX2 (0.46) NPY4REPHX2NPY5RNPY1RNPY2R
SCHEMBL7445001 0.94 EPHX2 (0.46) NPY4REPHX2NPY5RNPY1RNPY2R
SCHEMBL7445683 0.94 EPHX2 (0.46) NPY4REPHX2NPY5RNPY1RNPY2R
SCHEMBL7442799 0.94 EPHX2 (0.46) NPY4REPHX2NPY5RNPY1RNPY2R
SCHEMBL7438925 0.94 EPHX2 (0.46) NPY4REPHX2NPY5RNPY1RNPY2R
SCHEMBL9439808 0.94 EPHX2 (0.46) NPY4REPHX2NPY5RNPY1RNPY2R
SCHEMBL7442250 0.94 EPHX2 (0.46) NPY4REPHX2NPY5RNPY1RNPY2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0494248-A4 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES 1992-08-26 EP claimed
EP-0494248-A1 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-07-15 EP claimed
WO-1991004746-A1 ANTI-THROMBOTIC PEPTIDES AND PSEUDOPEPTIDES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1991-04-18 WO claimed
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