Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5507641

N[C@@H]1C(=O)N2C(C(=O)O)=C(C=C3CCN(Cc4cc[n+](CC(=O)Nc5ccc(O)c(F)c5)cc4)C3=O)CS[C@H]12.O=C([O-])C(F)(F)F

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.34
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30
HTT P42858 1/20 0.30
DUSP3 P51452 1/20 0.30
PTPN5 P54829 1/20 0.30
PTPN11 Q06124 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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 SCHEMBL5507637 1.00 HDAC1 (0.34) HDAC1POLBMAPTPKMHTT
Trifluoroacetic Acid SCHEMBL5507628 0.96 HDAC1 (0.34) HDAC1POLBMAPTPKMHTT
Trifluoroacetic Acid SCHEMBL8701786 0.95 HDAC1 (0.34) HDAC1POLBMAPTPKMHTT
Trifluoroacetic Acid SCHEMBL8701367 0.94 HDAC1 (0.34) HDAC1
Trifluoroacetic Acid SCHEMBL8701359 0.94 HDAC1 (0.34) HDAC1
Trifluoroacetic Acid SCHEMBL8705695 0.94 HDAC1 (0.31) HDAC1POLBMAPTPKMHTT
Trifluoroacetic Acid SCHEMBL8702817 0.93 HDAC1 (0.32) HDAC1POLBMAPTPKMHTT
Trifluoroacetic Acid SCHEMBL5501776 0.92 DRD2 (0.32) HDAC1POLBMAPTPKMHTT
Trifluoroacetic Acid SCHEMBL5501760 0.92 DRD2 (0.32) HDAC1POLBMAPTPKMHTT
Trifluoroacetic Acid SCHEMBL8707870 0.92 HDAC1 (0.30) HDAC1

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-0841339-B1 Vinylpyrrolidinon cephalosporin derivatives BASILEA PHARMACEUTICA AG (CH) 2007-02-21 EP disclosed
EP-0911030-B1 Antimicrobial composition comprising a vinyyl pyrrolidinon derivative and a carbapenem antibiotic or a beta-lactamase inhibitor BASILEA PHARMACEUTICA AG (CH) 2005-04-13 EP disclosed
US-6294668-B1 ANTIBACTERIAL ACTIVITY AGAINST BETA-LACTAM SENSITIVE AND RESISTANT GRAM-POSITIVE BACTERIA, SUCH AS STAPHYLOCOCCI, PNEUMOCOCCI, AND ENTEROCOCCI; USED IN THERAPY OF INFECTIOUS DISEASES CAUSED BY THOSE BACTERIA HOFFMAN-LA ROCHE INC. 2001-09-25 US disclosed
US-6150350-A CARBAPENEM ANTIBIOTIC AND BETA-LACTAMASE INHIBITOR, USEFUL FOR THE TREATMENT AND PROPHYLAXIS OF INFECTIOUS DISEASES HOFFMAN-LA ROCHE INC. (US) 2000-11-21 US disclosed
EP-0911030-A2 Antimicrobial composition comprising a vinyyl pyrrolidinon derivative and a carbapenem antibiotic or a beta-lactamase inhibitor F.HOFFMANN-LA ROCHE AG (CH) 1999-04-28 EP disclosed
EP-0841339-A1 Vinylpyrrolidinon cephalosporin derivatives F. HOFFMANN-LA ROCHE AG (CH) 1998-05-13 EP disclosed