SCHEMBL364355

SCHEMBL364355

CC(C)CCCCC#N

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
SCHEMBL22294687 0.97 TSHR (0.46)
SCHEMBL7948788 0.97 TSHR (0.46)
SCHEMBL765938 0.97 TSHR (0.46)
SCHEMBL1687735 0.97 TSHR (0.46)
SCHEMBL4911816 0.97 TSHR (0.46)
SCHEMBL28391494 0.97 TSHR (0.46)
SCHEMBL10434646 0.97 TSHR (0.46)
SCHEMBL9803580 0.97 TSHR (0.46)
Hydrochloric Acid SCHEMBL27852088 0.95 TSHR (0.44)
SCHEMBL127102 0.91

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 69 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1469842-A4 BICYCLIC CB2 CANNABINOID RECEPTOR LIGANDS PHARMOS CORP (US) 2006-04-26 EP claimed
JP-2005523259-A 2005-08-04 JP claimed
US-20050020544-A1 Bicyclic CB2 cannabinoid receptor ligands PHARMOS CORPORATION 2005-01-27 US claimed
EP-1469842-A2 BICYCLIC CB2 CANNABINOID RECEPTOR LIGANDS PHARMOS CORPORATION (US) 2004-10-27 EP claimed
WO-2003063758-A2 BICYCLIC CB2 CANNABINOID RECEPTOR LIGANDS PHARMOS CORPORATION (US) 2003-08-07 WO claimed
US-10172858-B2 Combination pharmaceutical compositions and uses thereof INTELLIKINE LLC (US) 2019-01-08 US disclosed
US-20180117060-A1 COMBINATION OF CATALYTIC MTORC 1/2 INHIBITORS AND SELECTIVE INHIBITORS OF AURORA A KINASE MILLENNIUM PHARM INC (US) 2018-05-03 US disclosed
US-9944638-B2 Indoles as respiratory syncytial virus antiviral agents JANSSEN SCIENCES IRELAND US (IE) 2018-04-17 US disclosed
US-9944638-B2 Indoles as respiratory syncytial virus antiviral agents JANSSEN SCIENCES IRELAND US (IE) 2018-04-17 US disclosed
US-9724354-B2 Combination of catalytic mTORC1/2 inhibitors and selective inhibitors of Aurora A kinase MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-08-08 US disclosed
US-20170209448-A1 TREATMENT REGIMENS USING MULTIPLE PHARMACEUTICAL AGENTS INTELLIKINE LLC 2017-07-27 US disclosed
US-9669032-B2 Enhanced treatment regimens using mTOR inhibitors INTELLIKINE LLC (US) 2017-06-06 US disclosed
CN-101115713-A HIV protease inhibitors MEDIVIR AB (SE) 2008-01-30 CN disclosed
US-7071175-B1 Pyridine mercapto carboxylic acids as carboxypeptidase U inhibitors ASTRAZENECA AB (SE) 2006-07-04 US disclosed
EP-1469842-A4 BICYCLIC CB2 CANNABINOID RECEPTOR LIGANDS PHARMOS CORP (US) 2006-04-26 EP disclosed
US-20050020544-A1 Bicyclic CB2 cannabinoid receptor ligands PHARMOS CORPORATION 2005-01-27 US disclosed
EP-1469842-A2 BICYCLIC CB2 CANNABINOID RECEPTOR LIGANDS PHARMOS CORPORATION (US) 2004-10-27 EP disclosed
WO-2003063758-A2 BICYCLIC CB2 CANNABINOID RECEPTOR LIGANDS PHARMOS CORPORATION (US) 2003-08-07 WO disclosed
EP-1180098-A1 NEW COMPOUNDS AstraZeneca AB (SE) 2002-02-20 EP disclosed
WO-2000066557-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2000-11-09 WO disclosed