Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7457724

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

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSL P07711 8/20 0.37
ITGB3 P05106 2/20 0.36
ITGA2B P08514 2/20 0.36
ITGAV P06756 1/20 0.36
ELANE P08246 1/20 0.34
CTSB P07858 2/20 0.34
EPHX1 P07099 1/20 0.34
TGM2 P21980 1/20 0.34
P2RX7 Q99572 1/20 0.33

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 SCHEMBL7457716 1.00 CTSL (0.37) CTSLITGB3ITGA2BITGAVELANE
Trifluoroacetic Acid SCHEMBL7457934 1.00 CTSL (0.37) CTSLITGB3ITGA2BITGAVELANE
Trifluoroacetic Acid SCHEMBL7457940 1.00 CTSL (0.37) CTSLITGB3ITGA2BITGAVELANE
Trifluoroacetic Acid SCHEMBL7458551 0.94 CTSL (0.37) CTSLELANECTSBTGM2
Trifluoroacetic Acid SCHEMBL7458543 0.94 CTSL (0.37) CTSLELANECTSBTGM2
Trifluoroacetic Acid SCHEMBL7457933 0.86 ALDH1A1 (0.38) CTSLEPHX1TGM2
Trifluoroacetic Acid SCHEMBL7457930 0.86 ALDH1A1 (0.38) CTSLEPHX1TGM2
Trifluoroacetic Acid SCHEMBL7453873 0.84 TGM2 (0.37) CTSLITGB3ITGA2BITGAVEPHX1
Trifluoroacetic Acid SCHEMBL7457273 0.84 TGM2 (0.37) CTSLITGB3ITGA2BITGAVEPHX1
Trifluoroacetic Acid SCHEMBL8439864 0.81 EPHX1 (0.46) CTSLITGB3ITGA2BITGAVEPHX1

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