SCHEMBL1191981

SCHEMBL1191981

[CH2]CC#CC(CC)CC

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
SCHEMBL5986331 0.81
SCHEMBL8960693 0.78
SCHEMBL18493499 0.75
SCHEMBL2121066 0.74
SCHEMBL8960598 0.74
SCHEMBL5986338 0.74
SCHEMBL5985036 0.72
SCHEMBL5986753 0.72
SCHEMBL1126504 0.71
SCHEMBL8941195 0.71 LMNA (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7888338-B2 7-(2-cyclohexylidene-ethylidene)-spiro[4.5]decanes K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2011-02-15 US claimed
US-20060178350-A1 7-(2-Cyclohexylidene-ethylidene)-spiro[4.5]decanes UNIVERSITEIT GENT (BE) 2006-08-10 US claimed
WO-2006060884-A1 7-(2-CYCLOHEXYLIDENE-ETHYLIDENE)-SPIRO[4.5]DECANES K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2006-06-15 WO claimed
US-7888338-B2 7-(2-cyclohexylidene-ethylidene)-spiro[4.5]decanes K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2011-02-15 US disclosed
US-20060178350-A1 7-(2-Cyclohexylidene-ethylidene)-spiro[4.5]decanes UNIVERSITEIT GENT (BE) 2006-08-10 US disclosed
WO-2006060884-A1 7-(2-CYCLOHEXYLIDENE-ETHYLIDENE)-SPIRO[4.5]DECANES K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2006-06-15 WO disclosed
CN-1084190-C Dermatologic preparation composition containing prostacyclin as active ingredient TEIJIN LTD (JP) 2002-05-08 CN disclosed
US-5965611-A TREATING CHRONIC PERIPHERAL ARTERIAL OCCLUSION BY ADMINISTERING EMULSION COMPRISING ISOCARBACYCLIN, VEGETABLE OIL, PHOSPHOLIPID, AND WATER TEIGIN LIMITED (JP) 1999-10-12 US disclosed
EP-0634171-B1 PHARMACEUTICAL COMPOSITION FOR TREATING CEREBRAL THROMBOSIS TEIJIN LTD (JP) 1999-05-06 EP disclosed
EP-0761225-A1 PHARMACEUTICAL COMPOSITION FOR TREATING PERIPHERAL CIRCULATION DISORDER TEIJIN LIMITED (JP) 1997-03-12 EP disclosed
US-5610182-A ADMINISTERING AN ISOCARBACYCLIN OF SPECIFIC STRUCTURE IN THE FORM OF A FAT EMULSION TEIJIN, LIMITED (JP) 1997-03-11 US disclosed
CN-1102038-A External skin therapeutic agent composition containing prostacyclin as active ingredient TEIJIN LTD (JP) 1995-04-26 CN disclosed
EP-0634171-A1 PHARMACEUTICAL COMPOSITION FOR TREATING CEREBRAL THROMBOSIS TEIJIN LIMITED (JP) 1995-01-18 EP disclosed