SCHEMBL236722

SCHEMBL236722

O=C(Cl)OC(=O)OC(Cl)C(Cl)Cl

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
SCHEMBL2760916 0.81 LMNA (0.32)
SCHEMBL3024 0.78
SCHEMBL8476551 0.74
SCHEMBL7735643 0.74 ALDH1A1 (0.33)
SCHEMBL28340544 0.72 TSHR (0.43)
SCHEMBL16914750 0.71
SCHEMBL22228984 0.68
SCHEMBL583308 0.67
SCHEMBL28987941 0.67
SCHEMBL2291494 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097593-B1 Lipid A and other carbohydrate ligand analogs ONCOTHYREON INC. (US) 2012-01-17 US disclosed
US-20120003295-A1 LIPID A AND OTHER CARBOHYDRATE LIGAND ANALOGS ONCOTHYREON INC. (US) 2012-01-05 US disclosed
US-7820627-B2 Lipid A and other carbohydrate ligand analogs ONCOTHYREON INC. (US) 2010-10-26 US disclosed
EP-1549322-B1 LIPID A AND OTHER CARBOHYDRATE LIGAND ANALOGS ONCOTHYREON INC (US) 2010-02-17 EP disclosed
EP-1549322-A4 LIPID A AND OTHER CARBOHYDRATE LIGAND ANALOGS BIOMIRA INC (CA) 2006-07-26 EP disclosed
US-20060040891-A1 Lipid a and other carbohydrate ligand analogs BIOMIRA, INC (CA) 2006-02-23 US disclosed
EP-1549322-A2 LIPID A AND OTHER CARBOHYDRATE LIGAND ANALOGS BIOMIRA, INC. (CA) 2005-07-06 EP disclosed
WO-2003094850-A2 LIPID A AND OTHER CARBOHYDRATE LIGAND ANALOGS BIOMIRA, INC. (CA) 2003-11-20 WO disclosed