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Sugi Predict / Compounds / SCHEMBL9019100

SCHEMBL9019100

SCHEMBL9019100

C=CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)C(F)(F)CCCCCCCCCCCC)[C@H]1NC(=O)C[C@@H](CCCCCCCCCCC)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 18/20 0.46
▸ SELP P16109 1/20 0.38
▸ LGALS8 O00214 1/20 0.36

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
SCHEMBL9786193 0.92 TLR4 (0.49) TLR4SELPLGALS8
SCHEMBL9786197 0.92 TLR4 (0.49) TLR4SELPLGALS8
SCHEMBL9019290 0.92 TLR4 (0.42) TLR4SELP
SCHEMBL9019097 0.91 TLR4 (0.55) TLR4SELP
SCHEMBL9019095 0.91 TLR4 (0.55) TLR4SELP
SCHEMBL9019049 0.84 TLR4 (0.42) TLR4SELP
SCHEMBL9019027 0.84 TLR4 (0.36) TLR4SELP
SCHEMBL9019285 0.83 TLR4 (0.51) TLR4SELP
SCHEMBL9019224 0.83 TLR4 (0.51) TLR4SELP
SCHEMBL9019203 0.83 TLR4 (0.49) 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 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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