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Sugi Predict / Compounds / SCHEMBL9019079

SCHEMBL9019079

SCHEMBL9019079

C=CCO[C@H]1O[C@H](COC(=O)OCc2ccccc2)[C@@H](OP(=O)(c2ccccc2)c2ccccc2)[C@H](OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)[C@H]1NC(=O)C[C@H](CCCCCCCCCCC)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 18/20 0.51
▸ LY96 Q9Y6Y9 4/20 0.36
▸ SELP P16109 1/20 0.34

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
SCHEMBL9852675 1.00 TLR4 (0.51) TLR4LY96SELP
SCHEMBL9019016 0.93 TLR4 (0.58) TLR4LY96
SCHEMBL9019054 0.93 TLR4 (0.58) TLR4LY96
SCHEMBL9852726 0.92 TLR4 (0.49) TLR4LY96
SCHEMBL9852702 0.92 TLR4 (0.52) TLR4LY96
SCHEMBL9019043 0.92 TLR4 (0.52) TLR4LY96
SCHEMBL9019099 0.91 TLR4 (0.49) TLR4LY96SELP
SCHEMBL9019092 0.91 TLR4 (0.49) TLR4LY96SELP
SCHEMBL9019285 0.90 TLR4 (0.51) TLR4SELP
SCHEMBL9019224 0.90 TLR4 (0.51) TLR4SELP

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-0437016-B1 Lipid A analogues having immunoactivating and anti-tumour activity SANKYO CO (JP) 1996-05-01 — — EP disclosed
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