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SCHEMBL9019040

SCHEMBL9019040

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(F)(F)C(CCCCCCCCCCC)OC(=O)OCc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 9/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL9019034 0.87 L3MBTL1 (0.32) L3MBTL1
SCHEMBL9019191 0.86 TLR4 (0.43) TLR4L3MBTL1
SCHEMBL9019090 0.86 TLR4 (0.43) TLR4L3MBTL1
SCHEMBL9019104 0.85 TLR4 (0.44) TLR4
SCHEMBL9019087 0.84 TLR4 (0.42) TLR4
SCHEMBL8583223 0.82 TLR4 (0.42) TLR4
SCHEMBL9019027 0.81 TLR4 (0.36) TLR4L3MBTL1
SCHEMBL6800462 0.80 TLR4 (0.46) TLR4L3MBTL1
SCHEMBL6800467 0.80 TLR4 (0.46) TLR4L3MBTL1
SCHEMBL9786196 0.80 TLR4 (0.33) TLR4L3MBTL1

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 1 patent. 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
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