SCHEMBL4660494

SCHEMBL4660494

CCCOC(C)C1CCCC(C)(C)C1

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
SCHEMBL1396809 0.89 IDO1 (0.30)
SCHEMBL4660459 0.86
SCHEMBL22578964 0.83
SCHEMBL869451 0.81
SCHEMBL22592864 0.81 DGKA (0.33)
SCHEMBL22578999 0.80 NAAA (0.31)
SCHEMBL22578918 0.79
SCHEMBL1396802 0.79 IDO1 (0.33)
SCHEMBL2700537 0.78 SHBG (0.44)
SCHEMBL13485527 0.78

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-8569383-B2 Utilization of rhinologically active substances SYMRISE AG (DE) 2013-10-29 US claimed
EP-1341512-B1 RHINOLOGICAL AGENTS SYMRISE GMBH & CO KG (DE) 2008-12-31 EP claimed
US-7414079-B2 Utilization of rhinologically active substances SYMRISE GMBH & CO. KG (DE) 2008-08-19 US claimed
US-20050027017-A1 Rhinologically active substances SYMRISE AG (DE) 2005-02-03 US claimed
EP-1341512-A1 RHINOLOGICAL AGENTS HAARMANN & REIMER GMBH (DE) 2003-09-10 EP claimed
US-20020120014-A1 Rhinologically active substances HAARMANN & REIMER GMBH (DE) 2002-08-29 US claimed
WO-2002041861-A1 RHINOLOGICAL AGENTS HAARMANN & REIMER GMBH (DE) 2002-05-30 WO claimed
US-8569383-B2 Utilization of rhinologically active substances SYMRISE AG (DE) 2013-10-29 US disclosed
EP-1341512-B1 RHINOLOGICAL AGENTS SYMRISE GMBH & CO KG (DE) 2008-12-31 EP disclosed
US-20080274064-A1 UTILIZATION OF RHINOLOGICALLY ACTIVE SUBSTANCES SYMRISE GMBH & CO. KG (DE) 2008-11-06 US disclosed
US-7414079-B2 Utilization of rhinologically active substances SYMRISE GMBH & CO. KG (DE) 2008-08-19 US disclosed
US-20050027017-A1 Rhinologically active substances SYMRISE AG (DE) 2005-02-03 US disclosed
US-20020120014-A1 Rhinologically active substances HAARMANN & REIMER GMBH (DE) 2002-08-29 US disclosed