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Sugi Predict / Compounds / SCHEMBL9019104

SCHEMBL9019104

SCHEMBL9019104

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

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 14/20 0.44
▸ LGALS8 O00214 1/20 0.38
▸ SELP P16109 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
SCHEMBL9019087 0.95 TLR4 (0.42) TLR4LGALS8SELP
SCHEMBL8583223 0.87 TLR4 (0.42) TLR4
SCHEMBL9019040 0.85 TLR4 (0.35) TLR4
SCHEMBL9019097 0.85 TLR4 (0.55) TLR4SELP
SCHEMBL9019095 0.85 TLR4 (0.55) TLR4SELP
SCHEMBL9019285 0.82 TLR4 (0.51) TLR4SELP
SCHEMBL9019224 0.82 TLR4 (0.51) TLR4SELP
SCHEMBL10613554 0.80 TLR4 (0.56) TLR4SELP
SCHEMBL10613216 0.80 TLR4 (0.60) TLR4LGALS8SELP
SCHEMBL9786197 0.80 TLR4 (0.49) TLR4LGALS8SELP

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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