Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7432808

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

nearest known ligand 0.47

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNPAT O15228 1/20 0.47
ALDH1A1 P00352 1/20 0.39
ACE P12821 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
ALOX15 P16050 1/20 0.37
NFKB1 P19838 1/20 0.37
PTGS2 P35354 1/20 0.37
THPO P40225 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CASP1 P29466 1/20 0.36
CASP3 P42574 2/20 0.35
CASP2 P42575 1/20 0.35
CTSD P07339 2/20 0.35
MME P08473 1/20 0.35
ENPEP Q07075 5/20 0.34
PTPN1 P18031 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
Trifluoroacetic Acid SCHEMBL7435083 0.85 ITGB1 (0.40) GNPATCTSDENPEPPTPN1
SCHEMBL17732667 0.79 GNPAT (0.56) GNPATACECASP3CTSDMME
Trifluoroacetic Acid SCHEMBL9614810 0.79 ITGB1 (0.45) ALDH1A1THRBALOX15NFKB1RECQL
SCHEMBL6558875 0.79 CASP1 (0.42) GNPATCASP1CASP3CASP2CTSD
SCHEMBL31162635 0.78 GNPAT (0.51) GNPATALDH1A1ACECASP1CASP3
SCHEMBL10442410 0.78 ALDH1A1 (0.42) GNPATALDH1A1KDM4EMAPTTHRB
SCHEMBL30799711 0.78 ENPEP (0.50) GNPATALDH1A1ENPEPPTPN1
SCHEMBL29695567 0.78 GNPAT (0.47) GNPATALDH1A1KDM4EMAPTTHRB
SCHEMBL29874685 0.77 MME (0.40) GNPATALDH1A1SMN1; SMN2CASP1CASP3
SCHEMBL30683407 0.76 ENPEP (0.45) GNPATCTSDMMEENPEP

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