Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7457933

O=C(CNC(=NC(=O)OCc1ccc([N+](=O)[O-])cc1)NC(=O)OCc1ccc([N+](=O)[O-])cc1)N[C@H]1CCNC1.O=C(O)C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
CCR2 P41597 1/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
KDM1A O60341 1/20 0.35
CTSL P07711 1/20 0.34
SIGMAR1 Q99720 2/20 0.34
GAA P10253 1/20 0.34
EPHX1 P07099 1/20 0.34
TGM2 P21980 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 SCHEMBL7457930 1.00 ALDH1A1 (0.38) ALDH1A1CCR2MAPTKMT2AMEN1
Trifluoroacetic Acid SCHEMBL7462437 0.94 ALDH1A1 (0.39) ALDH1A1CCR2MAPTKMT2AMEN1
Trifluoroacetic Acid SCHEMBL7462415 0.94 ALDH1A1 (0.39) ALDH1A1CCR2MAPTKMT2AMEN1
Trifluoroacetic Acid SCHEMBL7453873 0.91 TGM2 (0.37) ALDH1A1MAPTKMT2AMEN1CTSL
Trifluoroacetic Acid SCHEMBL7457273 0.91 TGM2 (0.37) ALDH1A1MAPTKMT2AMEN1CTSL
Trifluoroacetic Acid SCHEMBL7463901 0.86 MEN1 (0.40) ALDH1A1MAPTKMT2AMEN1CTSL
Trifluoroacetic Acid SCHEMBL7463897 0.86 MEN1 (0.40) ALDH1A1MAPTKMT2AMEN1CTSL
Trifluoroacetic Acid SCHEMBL7457724 0.86 CTSL (0.37) CTSLEPHX1TGM2
Trifluoroacetic Acid SCHEMBL7457934 0.86 CTSL (0.37) CTSLEPHX1TGM2
Trifluoroacetic Acid SCHEMBL7457940 0.86 CTSL (0.37) CTSLEPHX1TGM2

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-0882728-B1 1-METHYLCARBAPENEM DERIVATIVES SANKYO CO (JP) 2002-09-04 EP disclosed
US-6090802-A BACTERICIDE SANKYO COMPANY, LIMITED (JP) 2000-07-18 US disclosed
EP-0882728-A1 1-METHYLCARBAPENEM DERIVATIVES SANKYO COMPANY LIMITED (JP) 1998-12-09 EP disclosed