Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7462437

O=C(CNC(=NC(=O)OCc1ccc([N+](=O)[O-])cc1)NC(=O)OCc1ccc([N+](=O)[O-])cc1)NC1CNC1.O=C(O)C(F)(F)F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
CCR2 P41597 1/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GAA P10253 1/20 0.36
TGM2 P21980 1/20 0.36
PLCG1 P19174 1/20 0.36
KCNJ1 P48048 1/20 0.36
CTSL P07711 1/20 0.34
HTT P42858 1/20 0.34
SIGMAR1 Q99720 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 SCHEMBL7462415 1.00 ALDH1A1 (0.39) ALDH1A1CCR2MAPTMEN1KMT2A
Trifluoroacetic Acid SCHEMBL7457930 0.94 ALDH1A1 (0.38) ALDH1A1CCR2MAPTMEN1KMT2A
Trifluoroacetic Acid SCHEMBL7457933 0.94 ALDH1A1 (0.38) ALDH1A1CCR2MAPTMEN1KMT2A
Trifluoroacetic Acid SCHEMBL7463897 0.92 MEN1 (0.40) ALDH1A1MAPTMEN1KMT2ATGM2
Trifluoroacetic Acid SCHEMBL7463901 0.92 MEN1 (0.40) ALDH1A1MAPTMEN1KMT2ATGM2
Trifluoroacetic Acid SCHEMBL7456788 0.90 TGM2 (0.39) ALDH1A1MEN1KMT2ATGM2PLCG1
Trifluoroacetic Acid SCHEMBL7456781 0.90 TGM2 (0.39) ALDH1A1MEN1KMT2ATGM2PLCG1
Trifluoroacetic Acid SCHEMBL7456962 0.89 CTSL (0.35) ALDH1A1MAPTMEN1KMT2ATGM2
Trifluoroacetic Acid SCHEMBL7456985 0.89 CTSL (0.35) ALDH1A1MAPTMEN1KMT2ATGM2
Trifluoroacetic Acid SCHEMBL7458543 0.86 CTSL (0.37) ALDH1A1MAPTTGM2CTSL

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