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Sugi Predict / Compounds / SCHEMBL13480210

SCHEMBL13480210

SCHEMBL13480210

CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)NCC(CO)(CO[C@@H]1OC(CO)C(OP(=O)(O)O)C(OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)C1NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)COP(=O)(O)O

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 19/20 0.77
▸ LY96 Q9Y6Y9 4/20 0.55

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
SCHEMBL16298812 1.00 TLR4 (0.77) TLR4LY96
SCHEMBL13641409 1.00 TLR4 (0.77) TLR4LY96
SCHEMBL16254608 1.00 TLR4 (0.77) TLR4LY96
SCHEMBL12061333 1.00 TLR4 (0.77) TLR4LY96
SCHEMBL13641422 0.97 TLR4 (0.74) TLR4LY96
SCHEMBL2755050 0.97 TLR4 (0.74) TLR4LY96
SCHEMBL13641327 0.97 TLR4 (0.74) TLR4LY96
SCHEMBL12061349 0.97 TLR4 (0.74) TLR4LY96
SCHEMBL13641442 0.97 TLR4 (0.74) TLR4LY96
SCHEMBL13641324 0.97 TLR4 (0.74) 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
EP-1549322-B1 LIPID A AND OTHER CARBOHYDRATE LIGAND ANALOGS ONCOTHYREON INC (US) 2010-02-17 — — EP disclosed
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