SCHEMBL14136950

SCHEMBL14136950

C=CCOP(=O)(OCC=C)O[C@@H]1C(COC)O[C@H](O/C=C\C)[C@H](NC(=O)CCCCCCCCCI)C1OCCC(CCCCCCC)OC

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 19/20 0.53
▸ LY96 Q9Y6Y9 6/20 0.37

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
SCHEMBL13803798 0.94 TLR4 (0.61) TLR4LY96
SCHEMBL14080323 0.94 TLR4 (0.61) TLR4LY96
SCHEMBL13791954 0.94 TLR4 (0.61) TLR4LY96
SCHEMBL12600779 0.94 TLR4 (0.61) TLR4LY96
SCHEMBL10042150 0.94 TLR4 (0.61) TLR4LY96
SCHEMBL10070896 0.94 TLR4 (0.61) TLR4LY96
SCHEMBL12601329 0.94 TLR4 (0.61) TLR4LY96
SCHEMBL12600978 0.94 TLR4 (0.61) TLR4LY96
SCHEMBL12601198 0.94 TLR4 (0.61) TLR4LY96
SCHEMBL12762979 0.94 TLR4 (0.61) 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
EP-1939209-A1 PROCESS FOR PRODUCTION OF LIPID A ANALOGUE Eisai R&D Management Co., Ltd. (JP) 2008-07-02 — — EP disclosed
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