Ether

Ether

SCHEMBL9711364

CCOCC.O=S(=O)(O)OC(CO)CO

nearest known ligand 0.32

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Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL1345079 0.86 CA2 (0.35)
SCHEMBL20553266 0.84 CA2 (0.33)
Ammonia Solution, Strong SCHEMBL11133017 0.84 CA2 (0.33)
Water SCHEMBL345127 0.84 CA2 (0.33)
SCHEMBL17920061 0.82 MAPT (0.31)
Ether SCHEMBL4915930 0.77 ALDH1A1 (0.36) ALDH1A1
Ether SCHEMBL28693094 0.76 ALDH1A1 (0.39) ALDH1A1
SCHEMBL778902 0.74 CA2 (0.33)
Ether SCHEMBL4917612 0.74 ALDH1A1 (0.33) ALDH1A1
Ether SCHEMBL4926407 0.74 ALDH1A1 (0.33) ALDH1A1

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
WO-1992019590-A1 METHODE OF PREPARATION OF GLYCERIN ETHER SULPHATES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1992-11-12 WO disclosed