SCHEMBL29607110

SCHEMBL29607110

CCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@@H](OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)[C@H](OP(=O)(OCc2ccccc2)OCc2ccccc2)[C@@H](CO)O[C@H]1CC[C@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)C(=O)OCc1ccccc1)OC(=O)CCCCCCCCC

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 19/20 0.60
▸ LY96 Q9Y6Y9 3/20 0.41

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
SCHEMBL29607624 0.95 TLR4 (0.65) TLR4LY96
SCHEMBL29606756 0.94 TLR4 (0.53) TLR4LY96
SCHEMBL29608706 0.93 TLR4 (0.56) TLR4LY96
SCHEMBL29606742 0.92 TLR4 (0.57) TLR4LY96
SCHEMBL29607941 0.92 TLR4 (0.51) TLR4LY96
SCHEMBL29608248 0.89 TLR4 (0.53) TLR4
SCHEMBL25415439 0.87 TLR4 (0.80) TLR4LY96
SCHEMBL25415445 0.87 TLR4 (0.80) TLR4LY96
SCHEMBL29607028 0.86 TLR4 (0.52) TLR4
SCHEMBL25412919 0.85 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022102652-A1 NOVEL AMINOALKYL GLUCOSAMINIDE 4-PHOSPHATE DERIVATIVE 第一三共株式会社 2022-05-19 — — WO disclosed
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