SCHEMBL9019191

SCHEMBL9019191

C=CCO[C@H]1O[C@@H]2COC(C)(C)O[C@H]2[C@H](OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)[C@H]1NC(=O)C[C@@H](CCCCCCCCCCC)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 15/20 0.43
▸ SELP P16109 3/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL9019090 1.00 TLR4 (0.43) TLR4SELPL3MBTL1
SCHEMBL9019027 0.91 TLR4 (0.36) TLR4SELPL3MBTL1
SCHEMBL6800467 0.89 TLR4 (0.46) TLR4SELPL3MBTL1
SCHEMBL6800462 0.89 TLR4 (0.46) TLR4SELPL3MBTL1
SCHEMBL8435522 0.87 TLR4 (0.44) TLR4SELPL3MBTL1
SCHEMBL8433665 0.87 TLR4 (0.44) TLR4SELPL3MBTL1
SCHEMBL8434486 0.87 TLR4 (0.44) TLR4SELPL3MBTL1
SCHEMBL8431677 0.87 TLR4 (0.44) TLR4SELPL3MBTL1
SCHEMBL8577163 0.87 BCHE (0.34) TLR4SELPL3MBTL1
SCHEMBL8579402 0.87 BCHE (0.34) TLR4SELPL3MBTL1

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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