SCHEMBL448923

SCHEMBL448923

O=[N+]([O-])c1ccc[c]n1

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
SCHEMBL3294386 0.69 TSHR (0.46)
SCHEMBL446901 0.67
SCHEMBL9486037 0.65 CYP19A1 (0.39)
SCHEMBL451010 0.65
SCHEMBL33930 0.64
SCHEMBL3144065 0.64 LMNA (0.41)
SCHEMBL29542640 0.64
SCHEMBL3293293 0.63 MAPT (0.39)
SCHEMBL20969962 0.63 SOS1 (0.33)
SCHEMBL20503674 0.63 GAA (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111909082-B Pyridine hydrazone derivatives, and preparation method and application thereof 湖南大学 2022-09-13 CN claimed
CN-111909082-A Pyridine hydrazone derivatives, and preparation method and application thereof 湖南大学 2020-11-10 CN claimed
EP-2375898-B1 NOVEL HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2015-09-16 EP claimed
WO-2008132211-A1 AMINO-QUINAZOLINONE DERIVATIVES FOR USE AS RADIOTRACERS AND IMAGING AGENTS NOVARTIS AG (CH) 2008-11-06 WO claimed
US-6927193-B2 Aryl ether derivatives and processes for their preparation and herbicidal and desiccant compositions containing them ISHIHARA SANGYO KAISHA, LTD. (JP) 2005-08-09 US claimed
CN-1599727-A Aryl ether derivatives, process for their preparation and herbicidal and desiccant compositions containing them ISHIHARA SANGYO KAISHA (JP) 2005-03-23 CN claimed
US-20040267014-A1 Aryl ether derivatives and processes for their preparation and herbicidal and desiccant compositions containing them ISHIHARA SANGYO KAISHA, LTD. (JP) 2004-12-30 US claimed
EP-1432692-A1 ARYL ETHER DERIVATIVES AND PROCESSES FOR THEIR PREPARATION AND HERBICIDAL AND DESICCANT COMPOSITIONS CONTAINING THEM ISHIHARA SANGYO KAISHA, LTD. (JP) 2004-06-30 EP claimed
EP-0973395-B1 DIARYL ETHERS AND PROCESSES FOR THEIR PREPARATION AND HERBICIDAL AND DESICCANT COMPOSITIONS CONTAINING THEM ISK AMERICAS INC (US) 2003-12-03 EP claimed
US-20030195118-A1 Aryl ether derivatives and processes for their preparation and herbicidal and desiccant compositions containing them ISHIHARA SANGYO KAISHA, LTD. 2003-10-16 US claimed
US-6617282-B2 Useful as herbicides, defoliants and desiccants. ISHIHARA SANGYO KAISHA, LTD. (JP) 2003-09-09 US claimed
US-20030130122-A1 Aryl ether derivatives and processes for their preparation and herbicidal and desiccant compositions containing them ISHIHARA SANGYO KAISHA, LTD. 2003-07-10 US claimed
US-20030096990-A1 Processes for preparing 3-phenyl-2,4(1H, 3H)-pyrimidinediones ISHIHARA SANGYO KAISHA, LTD. 2003-05-22 US claimed
WO-2003029225-A1 ARYL ETHER DERIVATIVES AND PROCESSES FOR THEIR PREPARATION AND HERBICIDAL AND DESICCANT COMPOSITIONS CONTAINING THEM ISHIHARA SANGYO KAISHA, LTD. (JP) 2003-04-10 WO claimed
US-20020161224-A1 Diaryl ethers and processes for their preparation and herbicidal and desiccant compositions containing them PULMAN DAVID A (US) 2002-10-31 US claimed
US-6333296-B1 FOR CONTRILLING WEEDS ISK AMERICAS INCORPORATED 2001-12-25 US claimed
EP-0973395-A4 DIARYL ETHERS AND PROCESSES FOR THEIR PREPARATION AND HERBICIDAL AND DESICCANT COMPOSITIONS CONTAINING THEM ISK AMERICAS INC (US) 2001-10-04 EP claimed
US-6121201-A HETEROARYL SUBSTITUTED HALO-PYRAZOLE SUBSTITUTED DIARYL ETHERS OR THIOETHERS ISHIHARA SANGYO KAISHA, LTD. (JP) 2000-09-19 US claimed
EP-0973395-A1 DIARYL ETHERS AND PROCESSES FOR THEIR PREPARATION AND HERBICIDAL AND DESICCANT COMPOSITIONS CONTAINING THEM ISK Americas Incorporated (US) 2000-01-26 EP claimed
WO-1998041093-A1 DIARYL ETHERS AND PROCESSES FOR THEIR PREPARATION AND HERBICIDAL AND DESICCANT COMPOSITIONS CONTAINING THEM ISK AMERICAS INCORPORATED (US) 1998-09-24 WO claimed