SCHEMBL4375724

SCHEMBL4375724

C=CCOCC(O)CS(=O)(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.47
CA2 P00918 5/20 0.47
CA7 P43166 4/20 0.47
CA9 Q16790 4/20 0.40
CA4 P22748 3/20 0.40

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
SCHEMBL8603901 0.89 CA1 (0.46) CA1CA2CA7CA9CA4
SCHEMBL28123068 0.83 CA1 (0.50) CA1CA2CA7CA9CA4
SCHEMBL22092066 0.79 CA1 (0.57) CA1CA2CA7CA9CA4
SCHEMBL22205 0.78 CA1 (0.60) CA1CA2CA7CA9CA4
SCHEMBL21835153 0.78 CA1 (0.60) CA1CA2CA7CA9CA4
SCHEMBL28069236 0.78 CA1 (0.60) CA1CA2CA7CA9CA4
SCHEMBL27839330 0.76 CA1 (0.32) CA1CA2CA7
SCHEMBL2463954 0.76 CA1 (0.58) CA1CA2CA7CA9CA4
SCHEMBL302339 0.76 CA1 (0.58) CA1CA2CA7CA9CA4
Ammonia Solution, Strong SCHEMBL10781539 0.76 CA1 (0.58) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1379475-B1 METHOD FOR CONTROLLONG SCALE FORMATION AND DEPOSITION IN AQUESOUS SYSTEMS GE BETZ INC (US) 2009-07-08 EP disclosed
US-6641754-B2 Adding to the aqueous system an effective amount for the purpose of a water-soluble or water-dispersible a co or terpolymer of ethylenically unsaturated monomers, allyl ether containing suflate, phosphate and acid BETZDEARBORN INC. 2003-11-04 US disclosed