SCHEMBL4204327

SCHEMBL4204327

C=CCOP(=O)(OCC=C)OCCO[C@H]1O[C@@H]2COC(C)(C)O[C@H]2[C@H](OCCCCCCCCCCCC)[C@H]1OCCCCCCCCCCCC

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL4201778 0.87 GBA1 (0.31) —
SCHEMBL4191763 0.85 TLR4 (0.36) —
SCHEMBL4201783 0.79 GBA1 (0.35) —
SCHEMBL4192378 0.78 GBA1 (0.33) —
SCHEMBL4198168 0.78 GBA1 (0.36) —
SCHEMBL4201280 0.76 CNR1 (0.33) —
SCHEMBL12560742 0.76 MAPK1 (0.42) —
SCHEMBL4199350 0.74 — —
SCHEMBL4205410 0.74 MAPK1 (0.45) —
SCHEMBL12371580 0.72 MAPK1 (0.33) —

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-20090062214-A1 Left-Side Glucose Lipid a Analogue SANKYO COMPANY, LTD. (JP) 2009-03-05 — — US disclosed
EP-1702926-A1 LEVULOSE GLUCOSELIPID A ANALOGUE Sankyo Company, Limited (JP) 2006-09-20 — — EP disclosed
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