SCHEMBL991497

SCHEMBL991497

C[CH]C([O])=O

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
SCHEMBL23398 0.70
SCHEMBL23397 0.70
Bicarbonate SCHEMBL796513 0.70
SCHEMBL243530 0.70
Bicarbonate SCHEMBL3917413 0.70
Bicarbonate SCHEMBL194552 0.70
Bicarbonate SCHEMBL16673755 0.70 CA1 (0.50)
SCHEMBL18740 0.70
Bicarbonate SCHEMBL8827978 0.70 TSHR (0.60)
Bicarbonate SCHEMBL29012214 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150272929-A1 ORGANIC COMPOUNDS UMBRICHT DANIEL (CH) 2015-10-01 US disclosed
US-20140194423-A1 COMBINATION PRODUCTS GOMEZ-MANCILLA BALTAZAR (CH) 2014-07-10 US disclosed
US-20140187600-A1 USE OF METABOTROPIC GLUTAMATE RECEPTORS GLATTHAR RALF (DE) 2014-07-03 US disclosed
US-8703809-B2 Combination products NOVARTIS AG (CH) 2014-04-22 US disclosed
US-8610998-B2 Coloured organic electrophoretic particles BASF SE (DE) 2013-12-17 US disclosed
US-20120309742-A1 USE OF METABOTROPIC GLUTAMATE RECEPTORS GLATTHAR RALF (DE) 2012-12-06 US disclosed
US-20120122878-A1 COMBINATION PRODUCTS NOVARTIS AG (CH) 2012-05-17 US disclosed
US-20110216392-A1 Coloured organic electrophoretic particles BASF SE (DE) 2011-09-08 US disclosed
EP-2320892-A2 COMBINATION PRODUCTS Novartis AG (CH) 2011-05-18 EP disclosed
EP-2272509-A1 New Uses of metabotropic glutamate receptors Novartis AG (CH) 2011-01-12 EP disclosed
US-7696379-B2 Acetylene derivatives NOVARTIS AG (CH) 2010-04-13 US disclosed
US-20100041641-A1 USES OF METABOTROPIC GLUTAMATE RECEPTORS RALF GLATTHAR 2010-02-18 US disclosed
WO-2010000763-A2 COMBINATION PRODUCTS NOVARTIS AG (CH) 2010-01-07 WO disclosed
EP-2046896-A2 COLOURED ORGANIC ELECTROPHORETIC PARTICLES Ciba Holding Inc. (CH) 2009-04-15 EP disclosed
US-20080269250-A1 Pyrrolidine and Piperidine Acetylene Derivatives for Use as Mglur5 Antagonists NOVARTIS AG (CH) 2008-10-30 US disclosed
US-20080214673-A1 Acetylene Derivatives NOVARTIS AG (CH) 2008-09-04 US disclosed
EP-1877365-A1 ACETYLENE DERIVATIVES Novartis AG (CH) 2008-01-16 EP disclosed
WO-2008003604-A2 COLOURED ORGANIC ELECTROPHORETIC PARTICLES CIBA HOLDING INC. (CH) 2008-01-10 WO disclosed
WO-2007107471-A2 ANTHRAQUINONE DYE DERIVATIVES AND THEIR USE CLARIANT INTERNATIONAL LTD (CH) 2007-09-27 WO disclosed
WO-2006114262-A1 ACETYLENE DERIVATIVES NOVARTIS AG (CH) 2006-11-02 WO disclosed