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Sugi Predict / Compounds / SCHEMBL9786319

SCHEMBL9786319

SCHEMBL9786319

C=CCO[C@H]1O[C@H](COC(=O)OCC(Cl)(Cl)Cl)[C@@H](OP(=O)(Oc2ccccc2)Oc2ccccc2)[C@H](OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)[C@H]1NC(=O)OCC(Cl)(Cl)Cl

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 19/20 0.44
▸ LY96 Q9Y6Y9 6/20 0.33

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
SCHEMBL9786324 1.00 TLR4 (0.44) TLR4LY96
SCHEMBL9625168 0.93 TLR4 (0.46) TLR4LY96
SCHEMBL9625166 0.91 TLR4 (0.48) TLR4LY96
SCHEMBL7141779 0.90 TLR4 (0.36) TLR4
SCHEMBL7141782 0.90 TLR4 (0.36) TLR4
SCHEMBL9624885 0.90 TLR4 (0.46) TLR4LY96
SCHEMBL9624883 0.90 TLR4 (0.46) TLR4LY96
SCHEMBL7142546 0.88 TLR4 (0.41) TLR4LY96
SCHEMBL7142547 0.88 TLR4 (0.41) TLR4LY96
SCHEMBL7138752 0.88 TLR4 (0.38) 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
US-5066794-A Coupling monosaccharides, phosphonation, protecting, deprotecting DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1991-11-19 — — US disclosed
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