Sugi Predict

Sugi Predict / Compounds / SCHEMBL8209575

SCHEMBL8209575

SCHEMBL8209575

CCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)N[C@@H]1[C@H](OP(=O)(O)O)O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](OP(=O)(O)O)[C@H](O)[C@@H]2NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](O)[C@@H]1O

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 18/20 0.75
▸ LY96 Q9Y6Y9 2/20 0.52

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
Defoslimod SCHEMBL13752580 1.00 TLR4 (0.75) TLR4LY96
Defoslimod SCHEMBL13231311 1.00 TLR4 (0.75) TLR4LY96
Defoslimod SCHEMBL3714038 1.00 TLR4 (0.75) TLR4LY96
Defoslimod SCHEMBL12469694 1.00 TLR4 (0.75) TLR4LY96
Defoslimod SCHEMBL132545 1.00 TLR4 (0.75) TLR4LY96
Defoslimod SCHEMBL13705691 1.00 TLR4 (0.75) TLR4LY96
SCHEMBL8208245 1.00 TLR4 (0.75) TLR4LY96
Defoslimod SCHEMBL13744280 1.00 TLR4 (0.75) TLR4LY96
Defoslimod SCHEMBL19839002 1.00 TLR4 (0.75) TLR4LY96
SCHEMBL8209574 1.00 TLR4 (0.75) 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
EP-0729473-B1 GLUCOSAMINE DISACCHARIDES, METHOD FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND THEIR USE OM PHARMA (CH) 2000-08-23 — — EP disclosed
US-6005099-A FOR IMMUNOMODULATORS, ANTITUMOR AGENTS, AND COMPONENTS OF VACCINES WITH REDUCED ENDOTOXICITY LABORATOIRES OM S.A. (CH) 1999-12-21 — — US disclosed