SCHEMBL446545

SCHEMBL446545

Brc1n[c]ccn1

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
SCHEMBL4695390 0.71
SCHEMBL8653698 0.69
SCHEMBL2067264 0.69
SCHEMBL3130809 0.67
SCHEMBL184122 0.65 CYP2A6 (0.30)
SCHEMBL787909 0.62
SCHEMBL788857 0.62
SCHEMBL448358 0.62
SCHEMBL446036 0.62
SCHEMBL8921894 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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2375898-B1 NOVEL HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2015-09-16 EP claimed
US-20110039693-A1 Pyrimidylmethyl Sulfonamide Compounds BASF SE (DE) 2011-02-17 US claimed
EP-2252606-A1 PYRIMIDYLMETHYL SULFONAMIDE COMPOUNDS BASF SE (DE) 2010-11-24 EP claimed
WO-2009101078-A1 PYRIMIDYLMETHYL SULFONAMIDE COMPOUNDS BASF SE (DE) 2009-08-20 WO claimed
WO-2009101079-A1 PYRIMIDYLMETHYL SULFONAMIDE COMPOUNDS BASF SE (DE) 2009-08-20 WO claimed
EP-4396163-A1 HERBICIDAL MALONAMIDES CONTAINING MONOCYCLIC HETEROAROMATIC RINGS BASF SE (DE) 2024-07-10 EP disclosed
CN-117881662-A Herbicide malonamide containing monocyclic heteroaromatic ring 巴斯夫欧洲公司 2024-04-12 CN disclosed
WO-2023031199-A1 HERBICIDAL MALONAMIDES CONTAINING MONOCYCLIC HETEROAROMATIC RINGS BASF SE (DE) 2023-03-09 WO disclosed
US-9957248-B2 Substituted 5-hydroxy-2-heteroaryl-3-phenylpentanonitrile derivatives, processes for their preparation and their use as herbicides and/or plant growth regulators BAYER CROPSCIENCE AKTIENGESELLSHAFT (DE) 2018-05-01 US disclosed
US-20170166549-A1 Substituted 5-hydroxy-2-heteroaryl-3-phenylpentanonitrile derivatives, processes for their preparation and their use as herbicides and/or plant growth regulators BAYER CROPSCIENCE AKTIENGESELLSHAFT (DE) 2017-06-15 US disclosed
EP-2550264-B1 PYRIDAZINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS BASF SE (DE) 2016-06-08 EP disclosed
EP-2997824-A1 NOVEL HERBICIDES Syngenta Participations AG. (CH) 2016-03-23 EP disclosed
US-6043282-A FUNGICIDES, PESTICIDES, INSECTICIDES, NEMATOCIDES, MITICIDES BASF AKTIENGESELLSCHAFT (DE) 2000-03-28 US disclosed
EP-0882025-A1 PYRIMIDINE DERIVATIVES, PROCESS AND INTERMEDIATE PRODUCTS FOR THEIR PREPARATION AND PESTICIDES OR FUNGICIDES CONTAINING THESE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1998-12-09 EP disclosed
CN-1161687-A Phenylacetic acid alkyl esters BASF AG (DE) 1997-10-08 CN disclosed
WO-1997029093-A1 PYRIMIDINE DERIVATIVES, PROCESS AND INTERMEDIATE PRODUCTS FOR THEIR PREPARATION AND PESTICIDES OR FUNGICIDES CONTAINING THESE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1997-08-14 WO disclosed
US-5633256-A Certain pyrimidinyloxy-phenyl acrylates, derivatives thereof and their fungicidal use ZENECA LIMITED (GB) 1997-05-27 US disclosed
US-5602076-A INSECTICIDES, NEMATOCIDES ZENECA LIMITED (GB) 1997-02-11 US disclosed
US-5470819-A Plant growth regulators, insecticides ZENECA LIMITED (GB) 1995-11-28 US disclosed
US-5057146-A CERTAIN 2-PYRIDYL OXY-PHENYL ACRYLATES HAVING FUNGICIDAL, INSECTICIDAL, NEMATOCIDAL AND PLANT GROWTH REGULATING ACTIVITY IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-10-15 US disclosed