SCHEMBL29607907

SCHEMBL29607907

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

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 11/20 0.40
▸ LGALS8 O00214 1/20 0.38
▸ TLR2 O60603 3/20 0.34
▸ DAGLA Q9Y4D2 1/20 0.34
▸ SELP P16109 1/20 0.33

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
SCHEMBL29608234 0.92 TLR4 (0.42) TLR4LGALS8SELP
SCHEMBL29606973 0.90 TLR4 (0.45) TLR4LGALS8SELP
SCHEMBL29606615 0.83 TLR4 (0.48) TLR4LGALS8SELP
SCHEMBL29608129 0.82 TLR4 (0.45) TLR4LGALS8TLR2SELP
SCHEMBL9626507 0.82 TLR4 (0.54) TLR4
SCHEMBL9626514 0.82 TLR4 (0.54) TLR4
SCHEMBL29608248 0.81 TLR4 (0.53) TLR4LGALS8SELP
SCHEMBL27130945 0.80 TLR4 (0.51) TLR4
SCHEMBL26980390 0.80 TLR4 (0.51) TLR4
SCHEMBL2306934 0.80 LGALS8 (0.42) TLR4LGALS8SELP

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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