SCHEMBL4375729

SCHEMBL4375729

C=CCOC(O)C(O)CS(=O)(=O)O

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 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
SCHEMBL28743136 0.81 CA1 (0.32) CA1CA2CA7
SCHEMBL4963072 0.81 CA1 (0.32) CA1CA2CA7
SCHEMBL27639932 0.80 CA1 (0.31) CA1CA2CA7
SCHEMBL17629263 0.74 SLC22A6 (0.32) CA1CA2CA7
SCHEMBL11584086 0.74 TDP1 (0.32) CA1CA2CA7
SCHEMBL29825280 0.73 TDP1 (0.31)
SCHEMBL2098941 0.73 CA1 (0.33) CA1CA2CA7
SCHEMBL10953355 0.73 CA1 (0.46) CA1CA2CA7
SCHEMBL9007818 0.73 CA1 (0.34) CA1CA2CA7
SCHEMBL27605816 0.72 TSHR (0.38)

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