Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7327323

N=C(N)NCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)C=Cc1ccc(NC(=N)N)cc1)C(=O)O.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 3/20 0.40
MMP2 P08253 4/20 0.40
FOLH1 Q04609 5/20 0.37
CCKBR P32239 2/20 0.36
ITGB1 P05556 2/20 0.36
ITGA4 P13612 2/20 0.36
GRIA1 P42261 1/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
GNPAT O15228 1/20 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
SCHEMBL9297093 0.95 MMP2 (0.41) NPY4RMMP2FOLH1ITGB1ITGA4
Trifluoroacetic Acid SCHEMBL7321676 0.92 ENPEP (0.39) NPY4RMMP2ITGB1ITGA4NOS3
Trifluoroacetic Acid SCHEMBL7327233 0.91 TAS1R3 (0.43) MMP2NOS3NOS1NOS2GNPAT
Trifluoroacetic Acid SCHEMBL7321554 0.91 MMP2 (0.40) MMP2FOLH1CCKBRITGB1ITGA4
Trifluoroacetic Acid SCHEMBL7323026 0.89 MMP2 (0.43) MMP2NOS3NOS1NOS2
Trifluoroacetic Acid SCHEMBL7327858 0.88 MMP2 (0.41) MMP2NOS3NOS1NOS2
Trifluoroacetic Acid SCHEMBL7327884 0.87 NPY4R (0.41) NPY4RMMP2FOLH1CCKBRITGB1
SCHEMBL7323827 0.86 ENPEP (0.42) MMP2
Trifluoroacetic Acid SCHEMBL7323872 0.85 NOS3 (0.46) MMP2ITGB1ITGA4NOS3NOS1
SCHEMBL7330015 0.85 MMP2 (0.42) MMP2FOLH1GRIA1GNPAT

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-0584066-A4 ANTI-THROMBOTIC PEPTIDE AND PSEUDOPEPTIDE DERIVATIVES. RHONE POULENC RORER INT (US) 1994-10-12 EP claimed
EP-0584066-A1 ANTI-THROMBOTIC PEPTIDE AND PSEUDOPEPTIDE DERIVATIVES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1994-03-02 EP claimed
WO-1992018117-A1 ANTI-THROMBOTIC PEPTIDE AND PSEUDOPEPTIDE DERIVATIVES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS), INC. (US) 1992-10-29 WO claimed
EP-0584066-A4 ANTI-THROMBOTIC PEPTIDE AND PSEUDOPEPTIDE DERIVATIVES. RHONE POULENC RORER INT (US) 1994-10-12 EP disclosed
EP-0584066-A1 ANTI-THROMBOTIC PEPTIDE AND PSEUDOPEPTIDE DERIVATIVES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1994-03-02 EP disclosed
WO-1992018117-A1 ANTI-THROMBOTIC PEPTIDE AND PSEUDOPEPTIDE DERIVATIVES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS), INC. (US) 1992-10-29 WO disclosed