SCHEMBL4063880

SCHEMBL4063880

CCC1(CC)C=CCC1(C(=O)O)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
SCHEMBL5126936 0.71 CYP3A4 (0.35)
Hydrochloric Acid SCHEMBL8987265 0.69 CYP3A4 (0.36)
SCHEMBL3783621 0.69 CYP3A4 (0.36)
Hydrochloric Acid SCHEMBL8662463 0.64 CYP3A4 (0.31)
SCHEMBL5121797 0.64 CYP2C19 (0.33)
SCHEMBL21950923 0.64 FFAR3 (0.31)
SCHEMBL21950889 0.64 FFAR3 (0.31)
SCHEMBL21950888 0.64 FFAR3 (0.31)
SCHEMBL2874658 0.64
SCHEMBL10704789 0.62

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9233362-B2 Molybdenum and tungsten metal complexes and use thereof as precatalysts for olefin metathesis STUDIENGESELLSCHAFT KOHLE MBH (DE) 2016-01-12 US disclosed
EP-2680967-B1 MOLYBDENUM AND TUNGSTEN METAL COMPLEXES AND USE THEREOF AS PRECATALYSTS FOR OLEFIN METATHESIS STUDIENGESELLSCHAFT KOHLE MBH (DE) 2015-05-13 EP disclosed
EP-2027920-B1 Catalysts for metathesis reactions LANXESS DEUTSCHLAND GMBH (DE) 2014-10-08 EP disclosed
US-20140296516-A1 MOLYBDENUM AND TUNGSTEN METAL COMPLEXES AND USE THEREOF AS PRECATALYSTS FOR OLEFIN METATHESIS STUDIENGESELLSCHAFT KOHLE MBH (DE) 2014-10-02 US disclosed
EP-2680967-A1 MOLYBDENUM AND TUNGSTEN METAL COMPLEXES AND USE THEREOF AS PRECATALYSTS FOR OLEFIN METATHESIS Studiengesellschaft Kohle MbH (DE) 2014-01-08 EP disclosed
US-8507398-B2 Catalysts for metathesis reactions LANXESS DEUTSCHLAND GMBH (DE) 2013-08-13 US disclosed
WO-2012116695-A1 MOLYBDENUM AND TUNGSTEN METAL COMPLEXES AND USE THEREOF AS PRECATALYSTS FOR OLEFIN METATHESIS STUDIENGESELLSCHAFT KOHLE MBH (DE) 2012-09-07 WO disclosed
US-20090076226-A1 CATALYSTS FOR METATHESIS REACTIONS LANXESS DEUTSCHLAND GMBH (DE) 2009-03-19 US disclosed
EP-2027920-A1 Catalysts for metathesis reactions Lanxess Deutschland GmbH (DE) 2009-02-25 EP disclosed
US-20080275241-A1 Polymorphic Forms of Dolasetron Base and Processes of Preparing Dolasetron Base, Its Polymorphic Forms and Salt Thereof USV LIMITED (IN) 2008-11-06 US disclosed
WO-2007072506-A2 POLYMORPHIC FORMS OF DOLASETRON MESYLATE AND PROCESSES THEREOF USV LIMITED (IN) 2007-06-28 WO disclosed
WO-2007072507-A2 POLYMORPHIC FORMS OF DOLASETRON BASE AND PROCESSES OF PREPARING DOLASETRON BASE, ITS POLYMORPHIC FORMS AND SALT THEREOF USV LIMITED (IN) 2007-06-28 WO disclosed