SCHEMBL728126

SCHEMBL728126

[O]CC1CCCS1

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
SCHEMBL18205682 0.85
SCHEMBL14915586 0.79
SCHEMBL11960217 0.78
SCHEMBL12671786 0.72
SCHEMBL22721435 0.72
SCHEMBL812832 0.72
SCHEMBL6599845 0.72
SCHEMBL728127 0.72
SCHEMBL2138180 0.72
SCHEMBL13840787 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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4707934-B2 2011-06-22 JP claimed
JP-4708349-B2 2011-06-22 JP claimed
US-6844294-B2 Synergistic herbicidal compositions comprising herbicides from the benzoylcyclohexanedione group for use in rice crops AVENTIS CROPSCIENCE GMBH 2005-01-18 US claimed
WO-2004105482-A2 HERBICIDAL COMPOSITIONS FOR PADDY FIELD BAYER CROPSCIENCE AG (DE) 2004-12-09 WO claimed
US-6809064-B2 PLANT SAFENING AGENTS; BIOCOMPATABILITY AVENTIS CROPSCIENCE GMBH (DE) 2004-10-26 US claimed
EP-1385378-A2 SYNERGISTIC HERBICIDAL AGENT COMPRISING HERBICIDES FROM THE BENZOYLCYCLOHEXANEDIONE GROUP FOR APPLICATION IN RICE CULTIVATION Bayer CropScience GmbH (DE) 2004-02-04 EP claimed
EP-1383381-A1 SYNERGISTIC HERBICIDE COMPRISING BENZOYLCYCLOHEXANEDIONES FOR APPLICATION IN RICE CULTIVATION Bayer CropScience GmbH (DE) 2004-01-28 EP claimed
US-20030104940-A1 Synergistic herbicidal compositions comprising herbicides from the benzoylcyclohexanedione group for use in rice crops AVENTIS CROPSCIENCE GMBH (DE) 2003-06-05 US claimed
US-20030104941-A1 Synergistic herbicidal compositions comprising herbicides from the benzoylcyclohexanedione group for use in rice crops AVENTIS CROPSCIENCE GBMH (DE) 2003-06-05 US claimed
WO-2002089582-A1 SYNERGISTIC HERBICIDE COMPRISING BENZOYLCYCLOHEXANEDIONES FOR APPLICATION IN RICE CULTIVATION BAYER CROPSCIENCE GMBH (DE) 2002-11-14 WO claimed
WO-2002085118-A2 SYNERGISTIC HERBICIDAL AGENT COMPRISING BENZOYLCYCLOHEXANEDIONES FOR APPLICATION IN RICE CULTIVATION BAYER CROPSCIENCE GMBH (DE) 2002-10-31 WO claimed
US-6376429-B1 CONTROLLING WEEDS HOECHST SCHERING AGREVO GMBH (DE) 2002-04-23 US claimed
US-10308610-B2 Inhibitor compounds of phosphodiesterase type 10A AbbVie Deutschland GmbH & Co. KG (DE) 2019-06-04 US disclosed
US-20180099936-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A AbbVie Deutschland GmbH & Co. KG (DE) 2018-04-12 US disclosed
US-9856220-B2 Inhibitor compounds of phosphodiesterase type 10A AbbVie Deutschland GmbH & Co. KG (DE) 2018-01-02 US disclosed
EP-2780324-B1 HETEROCYCLIC CARBOXAMIDES USEFUL AS INHIBITORS OF PHOSPHODIESTERASE TYPE 10A ABBVIE DEUTSCHLAND (DE) 2017-05-17 EP disclosed
US-20030104940-A1 Synergistic herbicidal compositions comprising herbicides from the benzoylcyclohexanedione group for use in rice crops AVENTIS CROPSCIENCE GMBH (DE) 2003-06-05 US disclosed
US-20030104941-A1 Synergistic herbicidal compositions comprising herbicides from the benzoylcyclohexanedione group for use in rice crops AVENTIS CROPSCIENCE GBMH (DE) 2003-06-05 US disclosed
WO-2002089582-A1 SYNERGISTIC HERBICIDE COMPRISING BENZOYLCYCLOHEXANEDIONES FOR APPLICATION IN RICE CULTIVATION BAYER CROPSCIENCE GMBH (DE) 2002-11-14 WO disclosed
WO-2002085118-A2 SYNERGISTIC HERBICIDAL AGENT COMPRISING BENZOYLCYCLOHEXANEDIONES FOR APPLICATION IN RICE CULTIVATION BAYER CROPSCIENCE GMBH (DE) 2002-10-31 WO disclosed