SCHEMBL8580554

SCHEMBL8580554

C=CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](OC(=O)CCCCCCCCCCCCC)[C@H]1NC(=O)[C@H](F)[C@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 18/20 0.44
▸ LY96 Q9Y6Y9 6/20 0.42

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
SCHEMBL8578333 1.00 TLR4 (0.44) TLR4LY96
SCHEMBL8581099 0.84 TLR4 (0.37) TLR4
SCHEMBL10960907 0.84 TLR4 (0.60) TLR4LY96
SCHEMBL10960916 0.84 TLR4 (0.60) TLR4LY96
SCHEMBL9637479 0.84 TLR4 (0.60) TLR4LY96
SCHEMBL8578168 0.81 TLR4 (0.34) TLR4LY96
SCHEMBL8581372 0.81 TLR4 (0.34) TLR4LY96
SCHEMBL9786250 0.78 TLR4 (0.51) TLR4
SCHEMBL9786249 0.77 TLR4 (0.50) TLR4LY96
SCHEMBL9252973 0.77 TLR4 (0.46) TLR4LY96

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-5792840-A SUBSTITUTED GLUCOPYRANOSYL PHOSPHATES SANKYO COMPANY, LIMITED (JP) 1998-08-11 — — US disclosed
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