SCHEMBL9616886

SCHEMBL9616886

CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)O[C@H]1[C@H](OP(=O)(O)O)[C@@H](CO)OC(O)[C@@H]1NC(=O)C[C@H](O)CCCCCCCCCCC

nearest known ligand 0.82

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 19/20 0.82
▸ LY96 Q9Y6Y9 6/20 0.57

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
SCHEMBL10482547 1.00 TLR4 (0.82) TLR4LY96
SCHEMBL9616887 1.00 TLR4 (0.82) TLR4LY96
SCHEMBL10482550 1.00 TLR4 (0.82) TLR4LY96
SCHEMBL9406708 1.00 TLR4 (0.82) TLR4LY96
SCHEMBL9406707 1.00 TLR4 (0.82) TLR4LY96
SCHEMBL30786407 1.00 TLR4 (0.82) TLR4LY96
SCHEMBL7158457 0.95 TLR4 (0.81) TLR4LY96
SCHEMBL7858806 0.95 TLR4 (0.81) TLR4LY96
SCHEMBL7865406 0.95 TLR4 (0.81) TLR4LY96
SCHEMBL7866945 0.95 TLR4 (0.81) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4198192-A — — None — — JP disclosed
JP-H04198192-A AQUEOUS SOLUTION OF LIPID A ANALOG JAPAN TOBACCO INC 1992-07-17 — — JP disclosed
Send feedback