Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7438898

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

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 6/20 0.45
▸ C3AR1 Q16581 1/20 0.40
▸ NOD1 Q9Y239 2/20 0.37
▸ GNPAT O15228 1/20 0.37
▸ NPY1R P25929 4/20 0.36
▸ SHMT1 P34896 1/20 0.36
▸ NPY5R Q15761 4/20 0.36
▸ NPY2R P49146 1/20 0.36
▸ SLC15A2 Q16348 1/20 0.35
▸ EPHX2 P34913 1/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ FOLH1 Q04609 3/20 0.34

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
SCHEMBL29476474 0.92 C3AR1 (0.45) NPY4RC3AR1NOD1GNPATNPY1R
SCHEMBL2116832 0.92 C3AR1 (0.45) NPY4RC3AR1NOD1GNPATNPY1R
SCHEMBL187696 0.92 C3AR1 (0.45) NPY4RC3AR1NOD1GNPATNPY1R
SCHEMBL2815688 0.90 C3AR1 (0.44) NPY4RC3AR1NOD1GNPATNPY1R
SCHEMBL4587702 0.90 C3AR1 (0.44) NPY4RC3AR1NOD1GNPATNPY1R
Benzene SCHEMBL6278673 0.89 C3AR1 (0.49) NPY4RC3AR1NOD1GNPATNPY1R
SCHEMBL3952951 0.86 SLC15A2 (0.44) NPY4RC3AR1NOD1GNPATNPY1R
SCHEMBL29875467 0.86 SLC15A2 (0.44) NPY4RC3AR1NOD1GNPATNPY1R
SCHEMBL29875780 0.86 SLC15A2 (0.44) NPY4RC3AR1NOD1GNPATNPY1R
SCHEMBL3952924 0.86 SLC15A2 (0.44) NPY4RC3AR1NOD1GNPATNPY1R

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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