SCHEMBL134539

SCHEMBL134539

CCOCc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 6/20 0.57
ALDH1A1 P00352 5/20 0.57
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
HPGD P15428 2/20 0.51
MAPK1 P28482 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
KDM4E B2RXH2 1/20 0.51
TTR P02766 1/20 0.51
CYP1A2 P05177 1/20 0.51
MAPT P10636 1/20 0.51
CYP2C9 P11712 1/20 0.51
ALOX15 P16050 1/20 0.51
ALOX12 P18054 1/20 0.51
RECQL P46063 1/20 0.51
PMP22 Q01453 1/20 0.51
HIF1A Q16665 1/20 0.51
HSD17B10 Q99714 1/20 0.51
HTT P42858 3/20 0.44
POLB P06746 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL29397417 1.00 GPR35 (0.57) GPR35ALDH1A1KMT2AMEN1HPGD
SCHEMBL4897155 1.00 GPR35 (0.57) GPR35ALDH1A1KMT2AMEN1HPGD
Nitrophenolate SCHEMBL28626259 0.90 GPR35 (0.47) GPR35ALDH1A1KMT2AMEN1HPGD
SCHEMBL5083326 0.84 GPR35 (0.62) GPR35ALDH1A1KMT2AMEN1HPGD
SCHEMBL5080677 0.80 GPR35 (0.57) GPR35ALDH1A1KMT2AMEN1HPGD
SCHEMBL68433 0.79 GPR35 (0.63) GPR35ALDH1A1KMT2AMEN1HPGD
SCHEMBL28339878 0.78 BACE1 (0.44) GPR35ALDH1A1KMT2AMEN1HPGD
SCHEMBL574700 0.77 GPR35 (0.54) GPR35ALDH1A1KMT2AMEN1HPGD
SCHEMBL4229386 0.77 ALDH1A1 (0.49) GPR35ALDH1A1KMT2AMEN1HPGD
Trinitrophenol SCHEMBL650126 0.77 GPR35 (0.67) GPR35ALDH1A1KMT2AMEN1HPGD

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

Appears in 3530 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3060043-B1 PESTICIDAL COMPOSITIONS AND RELATED METHODS CORTEVA AGRISCIENCE LLC (US) 2025-11-26 EP claimed
EP-3578542-B1 COMPOSITIONS HAVING PESTICIDAL UTILITY AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2025-11-12 EP claimed
EP-3578543-B1 COMPOSITIONS COMPRISING MOLECULES HAVING PESTICIDAL UTILITY AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2025-08-20 EP claimed
EP-3578541-B1 COMPOSITIONS COMPRISING MOLECULES HAVING PESTICIDAL UTILITY, AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2025-05-28 EP claimed
US-20240130368-A1 HERBICIDAL COMPOSITION NIPPON SODA CO., LTD. (JP) 2024-04-25 US claimed
EP-4316244-A1 HERBICIDAL COMPOSITION Nippon Soda Co., Ltd. (JP) 2024-02-07 EP claimed
CN-116867373-A Herbicidal composition 日本曹达株式会社 2023-10-10 CN claimed
US-20230139897-A1 SOLID HERBICIDE COMPOSITION AND THE USE THEREOF ROTAM AGROCHEM INTERNATIONAL COMPANY LIMITED (HK) 2023-05-04 US claimed
US-20230000079-A1 COMBINATION COMPRISING A TRIKETONE HERBICIDE AND A DIPHENYLETHER HERBICIDE, AND A METHOD FOR MAKING AND USING THE COMBINATION Generic Crop Science LLC (US) 2023-01-05 US claimed
WO-2022202642-A1 HERBICIDAL COMPOSITION 日本曹達株式会社 2022-09-29 WO claimed
US-20050037923-A1 Herbicidal mixture based on 7-pyrazolybenzoxazoles BASF AKTIENGESELLSCHAFT (DE) 2005-02-17 US claimed
CN-1555219-A Herbicidal mixtures based on 3-phenyluracils �����ɷ� 2004-12-15 CN claimed
US-20040235665-A1 used in combination with other herbicides and possibly plant safening agents in order to reduce toxic effect on plants BASF AKTIENGESELLSCHAFT (DE) 2004-11-25 US claimed
EP-1458237-A1 HERBICIDAL MIXTURE BASED ON 7-PYRAZOLYLBENZOXAZOLES BASF AKTIENGESELLSCHAFT (DE) 2004-09-22 EP claimed
EP-1429609-A1 HERBICIDAL MIXTURES BASED ON 3-PHENYLURACILS BASF AKTIENGESELLSCHAFT (DE) 2004-06-23 EP claimed
WO-2003051122-A1 HERBICIDAL MIXTURE BASED ON 7-PYRAZOLYLBENZOXAZOLES BASF AKTIENGESELLSCHAFT (DE) 2003-06-26 WO claimed
EP-1313369-A2 HERBICIDAL MIXTURES BASF AKTIENGESELLSCHAFT (DE) 2003-05-28 EP claimed
WO-2003024221-A1 HERBICIDAL MIXTURES BASED ON 3-PHENYLURACILS BASF AKTIENGESELLSCHAFT (DE) 2003-03-27 WO claimed
US-20020055435-A1 Herbicidal mixtures INTELLECTUAL PROPERTY DEPARTMENT (DE) 2002-05-09 US claimed
WO-2002015694-A2 HERBICIDAL MIXTURES BASF AKTIENGESELLSCHAFT (DE) 2002-02-28 WO claimed