SCHEMBL1784596

SCHEMBL1784596

CC(O)/C=C/C(C)(C)C

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
SCHEMBL1784598 1.00
SCHEMBL10511638 0.79
SCHEMBL10511644 0.79
SCHEMBL9009862 0.77
SCHEMBL9160887 0.77 METAP1 (0.33)
SCHEMBL4474596 0.75
SCHEMBL4474600 0.75
SCHEMBL789104 0.73
SCHEMBL789287 0.73
SCHEMBL789595 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450533-B2 Cyclopropanation process GIVAUDAN SA (CH) 2013-05-28 US disclosed
US-8450533-B2 Cyclopropanation process GIVAUDAN SA (CH) 2013-05-28 US disclosed
US-8450533-B2 Cyclopropanation process GIVAUDAN SA (CH) 2013-05-28 US disclosed
US-8034811-B2 Hydroxamic acid esters and pharmaceutical use thereof LEO PHARMA A/S (DK) 2011-10-11 US disclosed
US-20110124924-A1 Cyclopropanation Process GIVAUDAN SA (CH) 2011-05-26 US disclosed
US-20110124924-A1 Cyclopropanation Process GIVAUDAN SA (CH) 2011-05-26 US disclosed
US-20110124924-A1 Cyclopropanation Process GIVAUDAN SA (CH) 2011-05-26 US disclosed
WO-2009023980-A1 CYCLOPROPANATION PROCESS GIVAUDAN SA (CH) 2009-02-26 WO disclosed
US-7384906-B2 Aliphatic compounds as fragrants with musk characteristics GIVANDAN SA (CH) 2008-06-10 US disclosed
US-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof LEO PHARMA A/S (DK) 2007-10-18 US disclosed
EP-1565420-B1 ALIPHATIC COMPOUNDS AS FRAGRANTS WITH MUSK CHARACTERISTICS GIVAUDAN SA (CH) 2006-10-18 EP disclosed
US-20060052277-A1 Aliphatic compounds as fragrants with musk characteristics GIVAUDAN SA (CH) 2006-03-09 US disclosed
EP-1565420-A1 ALIPHATIC COMPOUNDS AS FRAGRANTS WITH MUSK CHARACTERISTICS Givaudan SA (CH) 2005-08-24 EP disclosed
WO-2004050595-A1 ALIPHATIC COMPOUNDS AS FRAGRANTS WITH MUSK CHARACTERISTICS GIVAUDAN SA (CH) 2004-06-17 WO disclosed