SCHEMBL9692322

SCHEMBL9692322

C=CC/C1=C/CC/C=C\CC1.O=S(=O)([O-])c1ccc(C(F)(F)F)cc1.O=S(=O)([O-])c1ccc(C(F)(F)F)cc1.[Pd+2]

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.33
PTGS1 P23219 2/20 0.33
KIF11 P52732 1/20 0.32
LSS P48449 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
ADAMTS5 Q9UNA0 2/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 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
Trifluoromethanesulfonic Acid SCHEMBL9692723 0.83
Trifluoromethanesulfonic Acid SCHEMBL9692719 0.83
SCHEMBL10892662 0.79 LSS (0.38) PTGS2PTGS1KIF11LSSBCHE
Perchlorate SCHEMBL9691956 0.73
Perchlorate SCHEMBL9691960 0.73
Trifluoromethanesulfonic Acid SCHEMBL9691864 0.69
Trifluoromethanesulfonic Acid SCHEMBL9691856 0.69
SCHEMBL9691657 0.68 LSS (0.33) PTGS2PTGS1KIF11LSSBCHE
Silver SCHEMBL6115105 0.67 KIF11 (0.55) PTGS2PTGS1KIF11BCHEACHE
Potassium Ion SCHEMBL28729147 0.67 KIF11 (0.55) PTGS2PTGS1KIF11BCHEACHE

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0153692-B1 METHOD FOR ISOMERIZATION A GLYCIDATE DERIVATIVE SAGAMI CHEMICAL RESEARCH CENTER (JP) 1992-07-29 EP disclosed
EP-0153692-A2 Method for isomerization a glycidate derivative SAGAMI CHEMICAL RESEARCH CENTER (JP) 1985-09-04 EP disclosed