SCHEMBL847763

SCHEMBL847763

C=CCOCC(O)C(S(=O)(=O)O)S(=O)(=O)O

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.46
CA2 P00918 5/20 0.46
CA7 P43166 4/20 0.46
CA9 Q16790 4/20 0.38
CA4 P22748 3/20 0.38

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
SCHEMBL2864341 0.85 CA1 (0.46) CA1CA2CA7CA9CA4
SCHEMBL2867441 0.79 CA1 (0.41) CA1CA2CA7CA9CA4
SCHEMBL10953355 0.77 CA1 (0.46) CA1CA2CA7CA9CA4
SCHEMBL28429517 0.74 CA1 (0.42) CA1CA2CA7CA9CA4
Sulfuric Acid SCHEMBL4507170 0.74 CA1 (0.47) CA1CA2CA7CA9CA4
SCHEMBL847762 0.74 CA1 (0.52) CA1CA2CA7CA9CA4
Sulfuric Acid SCHEMBL9769075 0.73 CA1 (0.46) CA1CA2CA7CA9CA4
SCHEMBL22205 0.73 CA1 (0.60) CA1CA2CA7CA9CA4
SCHEMBL7110832 0.73 CA1 (0.41) CA1CA2CA7CA9CA4
SCHEMBL21835153 0.73 CA1 (0.60) CA1CA2CA7CA9CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2432742-A1 METHOD OF INHIBITING SCALE OF SILICA General Electric Company (US) 2012-03-28 EP disclosed