SCHEMBL4652983

SCHEMBL4652983

O=S(=O)(CCCO)OS(=O)(=O)CCCO

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.35
ATR Q13535 1/20 0.33
TXNRD1 Q16881 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
SCHEMBL29039846 0.87 CA2 (0.32) CA2ATR
SCHEMBL20358142 0.85 ATR (0.37) CA2ATRTXNRD1
SCHEMBL9225822 0.81 CA2 (0.31) CA2
SCHEMBL27999640 0.80
SCHEMBL25357393 0.78 CA2 (0.33) CA2ATR
SCHEMBL27439018 0.78
SCHEMBL701980 0.78
SCHEMBL27945553 0.78
SCHEMBL18265863 0.78
SCHEMBL11029954 0.76 CA2 (0.32) CA2ATR

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-1344866-B1 Coating agent SUEDZUCKER AG (DE) 2008-10-15 EP claimed