SCHEMBL4344073

SCHEMBL4344073

CC(C)(C)OC(=O)COC[C@@H]1OC2(CCCCC2)O[C@@H]1C=O

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
SCHEMBL14015852 0.78 POLB (0.52)
SCHEMBL4330327 0.78
SCHEMBL7032929 0.78
SCHEMBL2658035 0.74
SCHEMBL1619137 0.73 POLB (0.31)
SCHEMBL6854708 0.70
SCHEMBL6854705 0.70
SCHEMBL22349424 0.69 ALDH1A1 (0.39)
SCHEMBL6855867 0.67
SCHEMBL22043558 0.67 MIF (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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1472209-B1 LIPOXIN A4 ANALOGS BAYER SCHERING PHARMA AG (DE) 2009-03-04 EP disclosed
US-7223798-B2 Lipoxin A4 analogs SCHERING AKTIENGESELLSCHAFT (DE) 2007-05-29 US disclosed
US-20070105949-A1 Intermediates for the preparation of lipoxin A4 analogs SCHERING AKTIENGESELLSCHAFT (DE) 2007-05-10 US disclosed
US-20070037864-A1 Intermediates for the preparation of lipoxin A4 analogs SCHERING AKTIENGESELLSCHAFT (DE) 2007-02-15 US disclosed
US-6831186-B2 Antiinflammatory agents; autoimmune disease SCHERING AKTIENGESELLSCHFT (DE) 2004-12-14 US disclosed
US-20040162433-A1 Lipoxin A4 analogs SCHERING AKTIENGESELLSCHAFT (DE) 2004-08-19 US disclosed
US-20030139376-A1 Lipoxin A4 analogs SCHERING AKTIENGESELLSCHAFT (DE) 2003-07-24 US disclosed