SCHEMBL8037950

SCHEMBL8037950

C=CCO[C@H]1O[C@H](CO)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1NC(=O)C[C@@H](CCCCCCCCCCCCCCC)OCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 16/20 0.42
▸ SELP P16109 2/20 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
SCHEMBL2792671 0.94 TLR4 (0.46) TLR4SELP
SCHEMBL13231373 0.94 TLR4 (0.46) TLR4SELP
SCHEMBL2792673 0.94 TLR4 (0.46) TLR4SELP
SCHEMBL8037955 0.93 SELP (0.36) TLR4SELP
SCHEMBL9786197 0.83 TLR4 (0.49) TLR4SELP
SCHEMBL9786193 0.83 TLR4 (0.49) TLR4SELP
SCHEMBL2314102 0.83 TLR4 (0.52) TLR4
SCHEMBL9019100 0.81 TLR4 (0.46) TLR4SELP
SCHEMBL14205713 0.80 TLR4 (0.54) TLR4
SCHEMBL9019095 0.80 TLR4 (0.55) 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
JP-2000226397-A LIPID A INTERMEDIATE, ITS PRODUCTION AND PRODUCTION OF LIPID A AND ITS DERIVATIVE OTSUKA PHARMACEUT FACTORY INC 2000-08-15 — — JP disclosed
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