SCHEMBL9637479

SCHEMBL9637479

C=CCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](OC(=O)CCCCCCCCCCCCC)[C@H]1NC(=O)CCCCCCCCCCCCC

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 13/20 0.60
▸ LY96 Q9Y6Y9 6/20 0.58
▸ MAPK1 P28482 1/20 0.46
▸ SELP P16109 2/20 0.42
▸ TK2 O00142 1/20 0.42

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
SCHEMBL10960916 1.00 TLR4 (0.60) TLR4LY96MAPK1SELPTK2
SCHEMBL10960907 1.00 TLR4 (0.60) TLR4LY96MAPK1SELPTK2
SCHEMBL10960274 0.88 MAPK1 (0.59) TLR4LY96MAPK1SELP
SCHEMBL10960278 0.88 MAPK1 (0.59) TLR4LY96MAPK1SELP
SCHEMBL15551685 0.85 TLR4 (0.46) TLR4LY96MAPK1SELPTK2
SCHEMBL9252973 0.85 TLR4 (0.46) TLR4LY96MAPK1SELPTK2
SCHEMBL8578333 0.84 TLR4 (0.44) TLR4LY96
SCHEMBL8580554 0.84 TLR4 (0.44) TLR4LY96
SCHEMBL10960524 0.83 TLR4 (0.61) TLR4LY96MAPK1TK2
SCHEMBL10961145 0.83 TLR4 (0.61) TLR4LY96MAPK1TK2

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
US-5134230-A Disaccharide Antitumor Agent Intermediates DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1992-07-28 — — US disclosed
EP-0330715-A1 Disaccharide derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1989-09-06 — — EP disclosed
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