SCHEMBL21233

SCHEMBL21233

C/C=C\C(=O)Oc1c([N+](=O)[O-])cc(CCCCCC(C)C)cc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FUT7 Q11130 1/20 0.39
ALDH1A1 P00352 1/20 0.36
NPC1 O15118 2/20 0.34
FBP1 P09467 2/20 0.34
CYP3A4 P08684 2/20 0.34
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
LMNA P02545 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
POLB P06746 3/20 0.31
CYP2C19 P33261 2/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
GSTP1 P09211 1/20 0.30
GRIN2D O15399 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30

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
Diphenylether SCHEMBL28220905 0.91 MEN1 (0.39) FUT7ALDH1A1GAAHPGDTHRB
SCHEMBL28326421 0.91 GAA (0.34) FUT7ALDH1A1NPC1CYP3A4GAA
Diphenylamine SCHEMBL27816358 0.90 GAA (0.36) ALDH1A1FBP1GAAHPGDPOLB
SCHEMBL906661 0.87 THRB (0.44) FUT7ALDH1A1THRATHRB
SCHEMBL906659 0.87 THRB (0.44) FUT7ALDH1A1THRATHRB
SCHEMBL7198085 0.85 TDP1 (0.39) FUT7ALDH1A1NPC1CYP3A4GAA
SCHEMBL7198081 0.85 TDP1 (0.39) FUT7ALDH1A1NPC1CYP3A4GAA
SCHEMBL28267478 0.83 TDP1 (0.64) ALDH1A1TDP1
Dipyrithione SCHEMBL28227320 0.81 SLC2A1 (0.32) ALDH1A1GAAHPGD
SCHEMBL1855877 0.79 ESR1 (0.37) ALDH1A1GAAHPGDTDP1THRA

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 23731 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2026105160-A1 NOVEL AGROCHEMICAL COMPOSITION COMPRISING 3-SUBSTITUTED PHENYLAMIDINE COMPOUNDS AND USE THEREOF PI INDUSTRIES LTD. (IN) 2026-05-21 WO claimed
EP-4710766-A1 MIXTURES OF AMBRUTICIN WITH AT LEAST ONE FURTHER PESTICIDE BASF SE (DE) 2026-03-18 EP claimed
US-20260068884-A1 COMPOSITION USED FOR KILLING FUNGI AND METHOD FOR APPLYING COMPOSITION JIANGSU FLAG CHEMICAL INDUSTRY CO., LTD. (CN) 2026-03-12 US claimed
EP-4114183-B1 FUNGICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION AG (CH) 2026-02-25 EP claimed
US-20260033490-A1 ENCAPSULATION OF HIGH POTENCY ACTIVE AGENTS EDEN RESEARCH PLC (GB) 2026-02-05 US claimed
EP-4674271-A2 ENCAPSULATION OF HIGH POTENCY ACTIVE AGENTS Eden Research PLC (GB) 2026-01-07 EP claimed
US-RE50724-E1 4-membered ring carboxamides used as nematicides SYNGENTA CROP PROTECTION AG (CH) 2026-01-06 US claimed
EP-3060043-B1 PESTICIDAL COMPOSITIONS AND RELATED METHODS CORTEVA AGRISCIENCE LLC (US) 2025-11-26 EP claimed
US-12471599-B2 Agricultural compositions comprising remodeled nitrogen fixing microbes PIVOT BIO, INC. (US) 2025-11-18 US claimed
EP-3578542-B1 COMPOSITIONS HAVING PESTICIDAL UTILITY AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2025-11-12 EP claimed
CN-1057157-A Be used for the processing method of fungicide of blade and the composition of used fungicide RHONE POULENC AGROCHIMIE (FR) 1991-12-25 CN claimed
EP-0233910-B1 PLANT PROTECTING COMPOSITION INNOFINANCE Altalános Innovácios Pénzintézet (HU) 1990-09-19 EP claimed
EP-0230844-B1 FUNGICIDES COMPRISING TRIAZOLE AND OLIGO ETHER GROUPS, AND MIXTURES THEREOF RHONE-POULENC AGROCHIMIE (FR) 1990-07-11 EP claimed
CN-86105439-A Plant protection composition 1988-03-09 CN claimed
EP-0239508-A2 2-Cyano-benzimidazole derivatives, their preparation and use as fungicides, their association with other fungicides RHONE-POULENC AGROCHIMIE (FR) 1987-09-30 EP claimed
EP-0233910-A1 PLANT PROTECTING COMPOSITION. INNOFINANCE ALTALANOS INNOVACI (HU) 1987-09-02 EP claimed
EP-0230844-A1 Fungicides comprising triazole and oligo ether groups, and mixtures thereof RHONE-POULENC AGROCHIMIE (FR) 1987-08-05 EP claimed
WO-1987000400-A1 PLANT PROTECTING COMPOSITION INNOFINANCE ÁLTALÁNOS INNOVÁCIÓS PÉNZINTÉZET (HU) 1987-01-29 WO claimed
EP-0006212-B1 SYSTEM OF PULVERISATION IN THE FORM OF AN AEROSOL Airwick AG (CH) 1981-08-05 EP claimed
EP-0006212-A1 System of pulverisation in the form of an aerosol Airwick AG (CH) 1980-01-09 EP claimed