Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7445678

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

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 6/20 0.49
▸ NOD1 Q9Y239 8/20 0.47
▸ NPY5R Q15761 4/20 0.41
▸ NPY1R P25929 3/20 0.41
▸ NPY2R P49146 1/20 0.41
▸ SLC6A5 Q9Y345 2/20 0.40
▸ GNPAT O15228 1/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ C3AR1 Q16581 1/20 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
SCHEMBL1115969 0.92 NOD1 (0.53) NPY4RNOD1NPY5RNPY1RNPY2R
SCHEMBL1115964 0.92 NOD1 (0.53) NPY4RNOD1NPY5RNPY1RNPY2R
Hydrochloric Acid SCHEMBL3423146 0.91 NOD1 (0.52) NPY4RNOD1NPY5RNPY1RNPY2R
Trifluoroacetic Acid SCHEMBL7438898 0.86 NPY4R (0.45) NPY4RNOD1NPY5RNPY1RNPY2R
SCHEMBL29949573 0.86 NOD1 (0.58) NOD1SLC6A5GNPATEPHX2
Trifluoroacetic Acid SCHEMBL29816943 0.85 NPY4R (0.43) NPY4RNPY1RGNPATC3AR1
SCHEMBL11011526 0.85 NOD1 (0.64) NOD1SLC6A5EPHX2
SCHEMBL7135086 0.85 NOD1 (0.64) NOD1SLC6A5EPHX2
SCHEMBL2343614 0.84 NOD1 (0.66) NOD1SLC6A5EPHX2
SCHEMBL359523 0.84 NOD1 (0.66) NOD1SLC6A5EPHX2

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
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