SCHEMBL710653

SCHEMBL710653

CC(O)=CC(C)C

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
SCHEMBL14924771 1.00
SCHEMBL8901122 1.00
SCHEMBL10440514 0.74
SCHEMBL13179793 0.74
SCHEMBL10440516 0.74
SCHEMBL1914791 0.72 TSHR (0.30)
SCHEMBL1760729 0.72
SCHEMBL1914792 0.72 TSHR (0.30)
SCHEMBL13040569 0.72
SCHEMBL8021352 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9045465-B1 3-heterocyclyl-substituted benzoyl derivatives BASF SE (DE) 2015-06-02 US disclosed
US-8252925-B2 Method for the production of 3-phenyl(thio)uracils and dithiouracils BASF AKTIENGESELLSCHAFT (DE) 2012-08-28 US disclosed
US-8124818-B2 Method for the production of 3-phenyl(thio) uracils and dithiouracils BASF AKTIENGESELLSCHAFT (DE) 2012-02-28 US disclosed
US-20110152522-A1 METHOD FOR THE PRODUCTION OF 3-PHENYL(THIO) URACILS AND DITHIOURACILS BASF AKTIENGESSELSCHAFT (DE) 2011-06-23 US disclosed
US-7687664-B2 Carboxylic acid derivative, a salt thereof or an ester of them, and medicament comprising it EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-30 US disclosed
US-7608564-B2 3-heterocyclyl-substituted benzoyl derivatives BASF AKTIENGESELLSCHAFT (DE) 2009-10-27 US disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-7371777-B2 Cyclic compound and PPAR agonist EISAI CO., LTD. (JP) 2008-05-13 US disclosed
US-20080039327-A1 Herbicide; in crops such as wheat, rice, maize, soybeans and cotton they act against broad-leaved weeds and grass weeds without damaging the crop plants; compounds are based on 3-(5,5-disubstituted 2-isoxazolin-3-yl)benzoic acid, esters, thioesters and pyrazolyl ketones thereof DEYN WOLFGANG V 2008-02-14 US disclosed
US-20080033174-A1 Method for the Production of 3-Phenyl (Thio) Uracils and Dithiouracils BASF AKTIENGESELLSCHAFT (DE) 2008-02-07 US disclosed
US-6143696-A FOR CROP PROTECTION; HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2000-11-07 US disclosed
US-6140274-A Dihalopropene compounds, their use as insecticides/acaricides and intermediates for their production SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-10-31 US disclosed
EP-0742211-B1 PYRIDAZINONE DERIVATIVES NISSAN CHEMICAL IND LTD (JP) 2000-05-10 EP disclosed
CN-1209798-A Dihalopropene compounds, their use as insecticides/acaricides and intermediates for their production SUMITOMO CHEMICAL CO (JP) 1999-03-03 CN disclosed
US-5856327-A INHIBITING PLATELET AGGREGATION NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1999-01-05 US disclosed
CN-1189824-A 1-amino-3-benzyluracils BASF AG (DE) 1998-08-05 CN disclosed
US-5783522-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-07-21 US disclosed
US-5750523-A INHIBITING PLATELET AGGREGATION NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-05-12 US disclosed
EP-0742211-A1 PYRIDAZINONE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1996-11-13 EP disclosed
WO-1995002580-A2 SUBSTITUTED 2-PHENYLPYRIDINES WITH HERBICIDAL ACTION BASF AKTIENGESELLSCHAFT (DE) 1995-01-26 WO disclosed