SCHEMBL9786193

SCHEMBL9786193

C=CCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](OC(=O)C[C@@H](CCCCCCCCCCC)OCc2ccccc2)[C@H]1NC(=O)C[C@@H](CCCCCCCCCCC)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 18/20 0.49
▸ SELP P16109 1/20 0.42
▸ LGALS8 O00214 1/20 0.41

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
SCHEMBL9786197 1.00 TLR4 (0.49) TLR4SELPLGALS8
SCHEMBL9019097 0.95 TLR4 (0.55) TLR4SELP
SCHEMBL9019095 0.95 TLR4 (0.55) TLR4SELP
SCHEMBL9019100 0.92 TLR4 (0.46) TLR4SELPLGALS8
SCHEMBL13231373 0.89 TLR4 (0.46) TLR4SELP
SCHEMBL2792673 0.89 TLR4 (0.46) TLR4SELP
SCHEMBL2792671 0.89 TLR4 (0.46) TLR4SELP
SCHEMBL9624581 0.87 TLR4 (0.51) TLR4SELPLGALS8
SCHEMBL9624577 0.87 TLR4 (0.51) TLR4SELPLGALS8
SCHEMBL9019285 0.87 TLR4 (0.51) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5066794-A Coupling monosaccharides, phosphonation, protecting, deprotecting DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1991-11-19 — — US disclosed
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