SCHEMBL9625057

SCHEMBL9625057

CCCCCCCCCCC[C@H](CC(=O)O[C@@H]1[C@@H](NC(=O)OC(Cl)(Cl)CCl)[C@@H](O)O[C@@H]2COC(C)(C)O[C@@H]12)OCc1ccccc1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 2/20 0.30

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
SCHEMBL9625060 0.90 DAGLA (0.31) TLR4
SCHEMBL9786191 0.89 TLR4 (0.32) TLR4
SCHEMBL10772297 0.83 TLR4 (0.38) TLR4
SCHEMBL10747306 0.80 TLR4 (0.33) TLR4
SCHEMBL9786196 0.80 TLR4 (0.33) TLR4
SCHEMBL8579544 0.79 TLR4 (0.35) TLR4
SCHEMBL10354147 0.77 TLR4 (0.40) TLR4
SCHEMBL25413291 0.76 TLR4 (0.41) TLR4
SCHEMBL10777469 0.75 TLR4 (0.42) TLR4
SCHEMBL10772778 0.75 TLR4 (0.33) 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
EP-0172581-B1 DISACCHARIDE DERIVATIVES DAIICHI SEIYAKU CO., LTD. (JP) 1992-05-06 — — EP disclosed
Send feedback