SCHEMBL16135491

SCHEMBL16135491

CC1(C)OCC2OC(OCCN=[N+]=[N-])C(N)C(O)C2O1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CD209 Q9NNX6 1/20 0.33
▸ YWHAZ P63104 2/20 0.31

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
SCHEMBL15258385 1.00 CD209 (0.33) CD209YWHAZ
SCHEMBL28274781 0.83 YWHAZ (0.36) CD209YWHAZ
SCHEMBL15258382 0.83 MAPK1 (0.37) CD209
SCHEMBL14217637 0.83 MAPK1 (0.37) CD209
SCHEMBL15512332 0.82 CA1 (0.32) —
SCHEMBL13592471 0.82 CA1 (0.32) —
SCHEMBL18942777 0.82 CA1 (0.32) —
SCHEMBL3933081 0.81 YWHAZ (0.32) YWHAZ
SCHEMBL7143326 0.77 YWHAZ (0.32) YWHAZ
SCHEMBL8582014 0.77 YWHAZ (0.32) YWHAZ

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-2369345-B1 Glycoconjugates and their use as potential vaccines against infection by shigella flexneri PASTEUR INSTITUT (FR) 2014-10-01 — — EP disclosed
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