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SCHEMBL8216733

SCHEMBL8216733

CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O[C@H]5O[C@H](CO)[C@@H](O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 5/20 0.55
▸ GJB2 P29033 1/20 0.47
▸ CETP P11597 1/20 0.47

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
SCHEMBL9342582 1.00 TLR4 (0.55) TLR4GJB2CETP
SCHEMBL9342456 0.97 TLR4 (0.57) TLR4GJB2CETP
SCHEMBL8195196 0.94 GJB2 (0.52) TLR4GJB2
Heptane SCHEMBL8771592 0.94 GJB2 (0.52) TLR4GJB2
SCHEMBL8771561 0.94 GJB2 (0.52) TLR4GJB2
SCHEMBL9347500 0.94 GJB2 (0.52) TLR4GJB2
SCHEMBL9346786 0.94 GJB2 (0.52) TLR4GJB2
SCHEMBL11504400 0.94 GJB2 (0.52) TLR4GJB2
SCHEMBL22034095 0.94 GJB2 (0.52) TLR4GJB2
SCHEMBL2200475 0.92 TLR4 (0.57) TLR4CETP

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-2000169392-A NEW ADJUVANT AND VACCINE USING THE SAME BISEIBUTSU KAGAKU KENKYUSHO:KK 2000-06-20 — — JP disclosed