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Sugi Predict / Compounds / SCHEMBL9019085

SCHEMBL9019085

SCHEMBL9019085

CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@@H](NC(=O)C[C@@H](CCCCCCCCCCC)OCc2ccccc2)[C@@H](F)O[C@H](COC(=O)OCc2ccccc2)[C@H]1OP(=O)(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 19/20 0.47
▸ LY96 Q9Y6Y9 5/20 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
SCHEMBL9019073 1.00 TLR4 (0.47) TLR4LY96
SCHEMBL9019057 0.94 TLR4 (0.53) TLR4LY96
SCHEMBL9019055 0.94 TLR4 (0.53) TLR4LY96
SCHEMBL9019079 0.90 TLR4 (0.51) TLR4LY96
SCHEMBL9852675 0.90 TLR4 (0.51) TLR4LY96
SCHEMBL9019042 0.86 TLR4 (0.54) TLR4LY96
SCHEMBL9019056 0.86 TLR4 (0.54) TLR4LY96
SCHEMBL9019122 0.85 TLR4 (0.39) TLR4
SCHEMBL9019176 0.83 TLR4 (0.59) TLR4LY96
SCHEMBL9019072 0.83 TLR4 (0.59) 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 2 patents. 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
EP-0437016-A2 Lipid A analogues having immunoactivating and anti-tumour activity Sankyo Company Limited (JP) 1991-07-17 — — EP disclosed
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