SCHEMBL9019097

SCHEMBL9019097

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[C@@H](CCCCCCCCCCC)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 19/20 0.55
▸ SELP P16109 1/20 0.43

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
SCHEMBL9019095 1.00 TLR4 (0.55) TLR4SELP
SCHEMBL9786193 0.95 TLR4 (0.49) TLR4SELP
SCHEMBL9786197 0.95 TLR4 (0.49) TLR4SELP
SCHEMBL9019285 0.92 TLR4 (0.51) TLR4SELP
SCHEMBL9019224 0.92 TLR4 (0.51) TLR4SELP
SCHEMBL9019100 0.91 TLR4 (0.46) TLR4SELP
SCHEMBL10613216 0.91 TLR4 (0.60) TLR4SELP
SCHEMBL9019296 0.90 TLR4 (0.49) TLR4SELP
SCHEMBL9019203 0.90 TLR4 (0.49) TLR4SELP
SCHEMBL9626318 0.90 TLR4 (0.60) TLR4

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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