SCHEMBL9786249

SCHEMBL9786249

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)OC(Cl)(Cl)CCl

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 17/20 0.50
▸ LY96 Q9Y6Y9 3/20 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
SCHEMBL9786250 0.90 TLR4 (0.51) TLR4
SCHEMBL9626503 0.88 TLR4 (0.53) TLR4LY96
SCHEMBL26264836 0.80 TLR4 (0.68) TLR4LY96
SCHEMBL9019095 0.79 TLR4 (0.55) TLR4
SCHEMBL9019097 0.79 TLR4 (0.55) TLR4
SCHEMBL3932370 0.79 TLR4 (0.55) TLR4
SCHEMBL3928297 0.79 TLR4 (0.55) TLR4
SCHEMBL3929774 0.79 TLR4 (0.55) TLR4
SCHEMBL3932374 0.79 TLR4 (0.55) TLR4
SCHEMBL3932630 0.79 TLR4 (0.55) 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 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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