SCHEMBL4627136

SCHEMBL4627136

O=C(c1ccccc1)C(O)[C@H]1O[C@@H]([C@@]2(O)[C@@H](OCc3ccccc3)O[C@H](C(O)Cc3ccccc3)[C@](O)(Cc3ccccc3)[C@@]2(O)Cc2ccccc2)[C@](O)(C(=O)c2ccccc2)[C@@H](O)[C@@]1(O)C(=O)c1ccccc1

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
SCHEMBL4629090 0.83
SCHEMBL5798396 0.75
SCHEMBL9751516 0.73
SCHEMBL5702622 0.73 ALDH1A1 (0.33)
SCHEMBL8780695 0.70 MDM2 (0.34)
SCHEMBL2577623 0.68
SCHEMBL2045566 0.68 GRIN2D (0.31)
SCHEMBL2045564 0.68 GRIN2D (0.31)
SCHEMBL4629214 0.68 HIF1A (0.32)
SCHEMBL7563870 0.67 PPARG (0.32)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720889-A4 SULFATED OLIGOSACCHARIDE DERIVATIVES PROGEN PHARMACEUTICALS LTD (AU) 2008-03-19 EP disclosed
EP-1720889-A1 SULFATED OLIGOSACCHARIDE DERIVATIVES Progen Industries Limited (AU) 2006-11-15 EP disclosed
WO-2005085264-A1 SULFATED OLIGOSACCHARIDE DERIVATIVES PROGEN INDUSTRIES LIMITED (AU) 2005-09-15 WO disclosed