SCHEMBL16254638

SCHEMBL16254638

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

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 19/20 0.80
▸ LY96 Q9Y6Y9 5/20 0.57

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
SCHEMBL16254599 1.00 TLR4 (0.80) TLR4LY96
SCHEMBL12074997 1.00 TLR4 (0.80) TLR4LY96
SCHEMBL12061331 1.00 TLR4 (0.80) TLR4LY96
SCHEMBL16298813 1.00 TLR4 (0.80) TLR4LY96
SCHEMBL13480154 1.00 TLR4 (0.80) TLR4LY96
SCHEMBL12006180 1.00 TLR4 (0.80) TLR4LY96
SCHEMBL12061366 1.00 TLR4 (0.80) TLR4LY96
SCHEMBL12075593 1.00 TLR4 (0.80) TLR4LY96
SCHEMBL13641429 0.98 TLR4 (0.79) TLR4LY96
SCHEMBL12061357 0.98 TLR4 (0.79) 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
US-8889616-B2 MUC1 based glycolipopeptide vaccine with adjuvant ONCOTHYREON INC. (US) 2014-11-18 — — US disclosed
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