SCHEMBL9748621

SCHEMBL9748621

CCCCCCCCCCC[C@@H](CC(=O)[C@H]1C(ON)O[C@H](CO)[C@@H](OS(=O)(=O)O)[C@@H]1OC(=O)CCCCCCCOc1cc(Cl)cc(Cl)c1)OC(=O)CCCCCCCOc1cc(Cl)cc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 14/20 0.46
▸ CNR2 P34972 6/20 0.35
▸ CNR1 P21554 5/20 0.35

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
SCHEMBL8066951 0.84 TLR4 (0.46) TLR4
SCHEMBL6800817 0.82 TLR4 (0.54) TLR4
SCHEMBL7510999 0.78 SELP (0.40) TLR4
SCHEMBL6800791 0.77 TLR4 (0.41) TLR4
SCHEMBL8431613 0.76 TLR4 (0.54) TLR4
SCHEMBL10417895 0.75 TLR4 (0.36) TLR4CNR2CNR1
SCHEMBL9747848 0.73 TLR4 (0.48) TLR4CNR2
SCHEMBL10417935 0.73 TLR4 (0.44) TLR4CNR2CNR1
SCHEMBL8521582 0.73 TLR4 (0.55) TLR4
Pyridine SCHEMBL7507612 0.72 TLR4 (0.35) TLR4

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-0226381-B1 NOVEL GLUCOPYRANOSE DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 1992-02-05 — — EP claimed
EP-0226381-A2 Novel glucopyranose derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1987-06-24 — — EP claimed
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