SCHEMBL3084848

SCHEMBL3084848

[CH2]CC(=O)C(C)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
SCHEMBL28023627 0.79
SCHEMBL11378383 0.79
SCHEMBL15992208 0.77 MMP1 (0.41)
SCHEMBL1709289 0.77
SCHEMBL268198 0.77
SCHEMBL1709336 0.77
SCHEMBL9226467 0.76
SCHEMBL2528138 0.74
SCHEMBL11466259 0.74
SCHEMBL2153461 0.74

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
EP-1858857-B1 AZABICYCLOALKANE DERIVATIVES USEFUL AS NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS LILLY CO ELI (US) 2010-12-08 EP disclosed
US-20100233415-A1 OPTICAL RECORDING MEDIUM AND AZO METAL CHELATE COMPOUND MITSUI CHEMICALS, INC. (JP) 2010-09-16 US disclosed
EP-1997856-A1 OPTICAL RECORDING MEDIUM AND AZO METAL CHELATE COMPOUND Mitsui Chemicals, Inc. (JP) 2008-12-03 EP disclosed
US-20080261999-A1 Azabicycloalkane Derivatives Useful as Nicotinic Acetylcholine Receptor Agonists ELI LILLY AND COMPANY 2008-10-23 US disclosed
EP-1858857-A1 AZABICYCLOALKANE DERIVATIVES USEFUL AS NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS Eli Lilly &amp; Company (US) 2007-11-28 EP disclosed
US-20060287290-A1 Azabicyclic compounds are central nervous system active agents DART MICHAEL J 2006-12-21 US disclosed
US-7135484-B2 Azabicyclic compounds are central nervous system active agents ABBOTT LABORATORIES (US) 2006-11-14 US disclosed
WO-2006096358-A1 AZABICYCLOALKANE DERIVATIVES USEFUL AS NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2006-09-14 WO disclosed
EP-1539733-A2 AZABICYCLIC COMPOUNDS ARE CENTRAL NERVOUS SYSTEM ACTIVE AGENTS Abbott Laboratories (US) 2005-06-15 EP disclosed
US-20040152724-A1 Azabicyclic compounds are central nervous system active agents ABBVIE INC. 2004-08-05 US disclosed
US-20040044029-A1 Azabicyclic compounds are central nervous system active agents ABBOTT LABORATORIES 2004-03-04 US disclosed
WO-2004016604-A2 AZABICYCLIC COMPOUNDS ARE CENTRAL NERVOUS SYSTEM ACTIVE AGENTS ABBOTT LABORATORIES (US) 2004-02-26 WO disclosed
EP-0340709-A1 (3-Chloro-methyl phenyl)ethyl amines, processes for their production and their use BASF Aktiengesellschaft (DE) 1989-11-08 EP disclosed