SCHEMBL10611580

SCHEMBL10611580

CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)N[C@H]1[C@H](OCc2ccccc2)O[C@H](CO)[C@@H](OP(=O)(Oc2ccccc2)Oc2ccccc2)[C@@H]1OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 19/20 0.64
▸ LY96 Q9Y6Y9 6/20 0.47

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
SCHEMBL6567651 0.95 TLR4 (0.69) TLR4LY96
SCHEMBL6567647 0.95 TLR4 (0.69) TLR4LY96
SCHEMBL3928509 0.92 TLR4 (0.69) TLR4LY96
SCHEMBL3937496 0.92 TLR4 (0.69) TLR4LY96
SCHEMBL3933640 0.92 TLR4 (0.64) TLR4LY96
SCHEMBL3925341 0.92 TLR4 (0.69) TLR4LY96
SCHEMBL3925303 0.92 TLR4 (0.64) TLR4LY96
SCHEMBL3938094 0.92 TLR4 (0.69) TLR4LY96
SCHEMBL7502609 0.92 TLR4 (0.69) TLR4LY96
SCHEMBL3930073 0.92 TLR4 (0.69) TLR4LY96

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
US-4746742-A IMMUNOLOGY, ANTI-TUMOR TOHO YAKUHIN KOGYO KABUSHIKI KAISHA (JP) 1988-05-24 — — US disclosed
EP-0224260-A2 Analogs of nonreducing monosaccharide moiety of lipid A Toho Yakuhin Kogyo Kabushiki Kaisha (JP) 1987-06-03 — — EP disclosed
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