SCHEMBL2943642

SCHEMBL2943642

O=[N+]([O-])C1=CC=CCC1=COc1cc[nH]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
SCHEMBL8539914 0.68
SCHEMBL2943643 0.62
SCHEMBL5254768 0.60
SCHEMBL3628853 0.59
SCHEMBL6266396 0.59
SCHEMBL5071840 0.56
SCHEMBL30969462 0.56
SCHEMBL27609769 0.56
SCHEMBL938 0.56
SCHEMBL28619700 0.56

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1001937-B1 METHOD FOR PRODUCING 2-(3-PYRAZOLYL-OXYMETHYLENE) NITROBENZENES BASF AG (DE) 2003-06-11 EP claimed
US-6133451-A BROMINATION OF AN O-NITROTOLUENE AND SUBSEQUENT REACTION WITH A 3-HYDROXYPYRAZOLE BASF AKTIENGESELLSCHAFT (DE) 2000-10-17 US claimed
WO-2016113741-A1 PROCESS FOR PREPARING 1-(4-CHLOROPHENYL)-3-[(2-NITROPHENYL)METHOXY]-1H-PYRAZOLE ADAMA MAKHTESHIM LTD. (IL) 2016-07-21 WO disclosed
JP-2010106027-A METHOD FOR PRODUCING 2-(3-PYRAZOLYLOXYMETHYLENE)NITROBENZENE BASF SE 2010-05-13 JP disclosed
JP-2010106027-A METHOD FOR PRODUCING 2-(3-PYRAZOLYLOXYMETHYLENE)NITROBENZENE BASF SE 2010-05-13 JP disclosed
CN-1117736-C Method for producing 2-(3-pyrazolyl-oxymethylene) nitrobenzenes BASF AG (DE) 2003-08-13 CN disclosed
CN-1117736-C Method for producing 2-(3-pyrazolyl-oxymethylene) nitrobenzenes BASF AG (DE) 2003-08-13 CN disclosed
EP-1001937-B1 METHOD FOR PRODUCING 2-(3-PYRAZOLYL-OXYMETHYLENE) NITROBENZENES BASF AG (DE) 2003-06-11 EP disclosed
EP-1001937-B1 METHOD FOR PRODUCING 2-(3-PYRAZOLYL-OXYMETHYLENE) NITROBENZENES BASF AG (DE) 2003-06-11 EP disclosed
US-6133451-A BROMINATION OF AN O-NITROTOLUENE AND SUBSEQUENT REACTION WITH A 3-HYDROXYPYRAZOLE BASF AKTIENGESELLSCHAFT (DE) 2000-10-17 US disclosed
US-6133451-A BROMINATION OF AN O-NITROTOLUENE AND SUBSEQUENT REACTION WITH A 3-HYDROXYPYRAZOLE BASF AKTIENGESELLSCHAFT (DE) 2000-10-17 US disclosed
US-6133451-A BROMINATION OF AN O-NITROTOLUENE AND SUBSEQUENT REACTION WITH A 3-HYDROXYPYRAZOLE BASF AKTIENGESELLSCHAFT (DE) 2000-10-17 US disclosed
CN-1265653-A Process for preparing 2- (3-pyrazolyl-oxymethylene) nitrobenzene BASF AG (DE) 2000-09-06 CN disclosed
CN-1265653-A Process for preparing 2- (3-pyrazolyl-oxymethylene) nitrobenzene BASF AG (DE) 2000-09-06 CN disclosed
EP-1001937-A1 METHOD FOR PRODUCING 2-(3-PYRAZOLYL-OXYMETHYLENE) NITROBENZENES BASF AKTIENGESELLSCHAFT (DE) 2000-05-24 EP disclosed
EP-1001937-A1 METHOD FOR PRODUCING 2-(3-PYRAZOLYL-OXYMETHYLENE) NITROBENZENES BASF AKTIENGESELLSCHAFT (DE) 2000-05-24 EP disclosed
US-6054592-A CHEMICAL INTERMEDIATE FOR PESTICIDE, FUNGICIDE BASF AKTIENGESELLSCHAFT (DE) 2000-04-25 US disclosed
WO-1999006373-A1 METHOD FOR PRODUCING 2-(3-PYRAZOLYL-OXYMETHYLENE) NITROBENZENES BASF AKTIENGESELLSCHAFT (DE) 1999-02-11 WO disclosed
WO-1999006373-A1 METHOD FOR PRODUCING 2-(3-PYRAZOLYL-OXYMETHYLENE) NITROBENZENES BASF AKTIENGESELLSCHAFT (DE) 1999-02-11 WO disclosed
US-5869517-A PESTICIDE OR FUNGICIDE BASF AKTIENGESELLSCHAFT (DE) 1999-02-09 US disclosed