SCHEMBL5605375

SCHEMBL5605375

COC(C)OC(C)OCc1c(S(C)(=O)=O)ccc(C(=O)C2C(=O)CCCC2=O)c1Cl

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
SCHEMBL6883836 0.85 LMNA (0.31)
SCHEMBL4906207 0.84 HPD (0.31)
SCHEMBL12269385 0.82 ALDH1A1 (0.33)
SCHEMBL1963180 0.80 CA12 (0.30)
Tembotrione SCHEMBL29352862 0.80 HPD (0.38)
Tembotrione SCHEMBL3225813 0.80 HPD (0.38)
SCHEMBL1963115 0.80 HPD (0.31)
Tembotrione SCHEMBL116424 0.80 HPD (0.38)
SCHEMBL14668722 0.80 HPD (0.34)
SCHEMBL12770863 0.80 HPD (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070197387-A1 Herbicidal Composition SYNGENTA PARTICIPATIONS AG (CH) 2007-08-23 US claimed
EP-1689227-A2 HERBICIDAL COMPOSITION Syngenta Participations AG (CH) 2006-08-16 EP claimed
EP-1392117-B1 HERBICIDAL MIXTURE COMPRISING A BENZOYL DERIVATIVE, A FERTILIZER CONTAINING NITROGEN AND AN ADJUVANT BAYER CROPSCIENCE GMBH (DE) 2005-06-29 EP claimed
WO-2005055716-A2 HERBICIDAL COMPOSITION SYNGENTA PARTICIPATIONS AG (CH) 2005-06-23 WO claimed
US-6852674-B2 Herbicidal mixture comprising a benzoyl derivative, a fertilizer containing nitrogen and an adjuvant AVENTIS CROPSCIENCE GMBH (DE) 2005-02-08 US claimed
EP-1392117-A1 HERBICIDAL MIXTURE COMPRISING A BENZOYL DERIVATIVE, A FERTILIZER CONTAINING NITROGEN AND AN ADJUVANT Bayer CropScience GmbH (DE) 2004-03-03 EP claimed
US-20030104946-A1 Herbicidal mixture comprising a benzoyl derivative, a fertilizer containing nitrogen and an adjuvant. BAYER INTELLECTUAL PROPERTY GMBH (DE) 2003-06-05 US claimed
WO-2002091831-A1 HERBICIDAL MIXTURE COMPRISING A BENZOYL DERIVATIVE, A FERTILIZER CONTAINING NITROGEN AND AN ADJUVANT BAYER CROPSCIENCE GMBH (DE) 2002-11-21 WO claimed
US-8551918-B2 Herbicidal composition SYNGENTA CROP PROTECTION LLC (US) 2013-10-08 US disclosed
US-20070197387-A1 Herbicidal Composition SYNGENTA PARTICIPATIONS AG (CH) 2007-08-23 US disclosed
EP-1392117-B1 HERBICIDAL MIXTURE COMPRISING A BENZOYL DERIVATIVE, A FERTILIZER CONTAINING NITROGEN AND AN ADJUVANT BAYER CROPSCIENCE GMBH (DE) 2005-06-29 EP disclosed
US-6852674-B2 Herbicidal mixture comprising a benzoyl derivative, a fertilizer containing nitrogen and an adjuvant AVENTIS CROPSCIENCE GMBH (DE) 2005-02-08 US disclosed
EP-1392117-A1 HERBICIDAL MIXTURE COMPRISING A BENZOYL DERIVATIVE, A FERTILIZER CONTAINING NITROGEN AND AN ADJUVANT Bayer CropScience GmbH (DE) 2004-03-03 EP disclosed
US-20030104946-A1 Herbicidal mixture comprising a benzoyl derivative, a fertilizer containing nitrogen and an adjuvant. BAYER INTELLECTUAL PROPERTY GMBH (DE) 2003-06-05 US disclosed
WO-2002091831-A1 HERBICIDAL MIXTURE COMPRISING A BENZOYL DERIVATIVE, A FERTILIZER CONTAINING NITROGEN AND AN ADJUVANT BAYER CROPSCIENCE GMBH (DE) 2002-11-21 WO disclosed