Sugi Predict

Sugi Predict / Compounds / SCHEMBL29607941

SCHEMBL29607941

SCHEMBL29607941

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[Si](CC)(CC)CC)O[C@H]1CC[C@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)C(=O)OCc1ccccc1)OC(=O)CCCCCCCCC

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 18/20 0.51
▸ TLR2 O60603 2/20 0.34
▸ LY96 Q9Y6Y9 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
SCHEMBL29606628 0.93 TLR4 (0.47) TLR4LY96
SCHEMBL29607110 0.92 TLR4 (0.60) TLR4LY96
SCHEMBL29606756 0.91 TLR4 (0.53) TLR4TLR2LY96
SCHEMBL25413177 0.88 TLR4 (0.67) TLR4LY96
SCHEMBL25413183 0.88 TLR4 (0.67) TLR4LY96
SCHEMBL29607624 0.87 TLR4 (0.65) TLR4LY96
SCHEMBL25412461 0.86 TLR4 (0.58) TLR4LY96
SCHEMBL25412458 0.86 TLR4 (0.58) TLR4LY96
SCHEMBL29607028 0.85 TLR4 (0.52) TLR4TLR2
SCHEMBL29608706 0.85 TLR4 (0.56) 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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