SCHEMBL161072

SCHEMBL161072

CCCCCCCC(=O)Oc1c(Br)cc(C#N)cc1Br

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.43
THRA P10827 3/20 0.42
THRB P10828 3/20 0.42
MGLL Q99685 2/20 0.41
LDHA P00338 1/20 0.39
LDHB P07195 1/20 0.39
ALOX15 P16050 1/20 0.39
DGKA P23743 1/20 0.39
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TRPV1 Q8NER1 2/20 0.38
MEN1 O00255 1/20 0.38
TTR P02766 1/20 0.38
ALB P02768 1/20 0.38
LMNA P02545 2/20 0.37

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
SCHEMBL9252568 1.00 AKR1B1 (0.43) AKR1B1THRATHRBMGLLLDHA
SCHEMBL3300282 1.00 AKR1B1 (0.43) AKR1B1THRATHRBMGLLLDHA
Bromoxynil SCHEMBL3682602 0.95 MEN1 (0.47) AKR1B1THRATHRBMGLLLDHA
Heptanoate SCHEMBL13736224 0.95 THRA (0.47) AKR1B1THRATHRBALOX15KMT2A
Bromoxynil SCHEMBL3092904 0.91 THRA (0.44) AKR1B1THRATHRBLDHALDHB
SCHEMBL163129 0.88 AKR1B1 (0.42) AKR1B1THRATHRBMGLLLDHA
Acetic Acid Phenyl Ester SCHEMBL28102675 0.88 ESR1 (0.41) MGLLKMT2ASMN1; SMN2MEN1
Ioxynil Octanoate SCHEMBL164304 0.83 AKR1B1 (0.43) AKR1B1MGLLLDHALDHBALOX15
Bromoxynil SCHEMBL28163651 0.83 TTR (0.53) AKR1B1THRATHRBMGLLLDHA
Molinate SCHEMBL8916239 0.83 AKR1B1 (0.36) AKR1B1THRATHRBMGLLLDHA

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 3195 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4723888-A2 MIXTURE OF AGRICULTURALLY ACTIVE COMPOUNDS AND SPRAY ADJUVANTS Speedagro Inc. (US) 2026-04-15 EP claimed
EP-3060043-B1 PESTICIDAL COMPOSITIONS AND RELATED METHODS CORTEVA AGRISCIENCE LLC (US) 2025-11-26 EP claimed
US-20250318528-A1 HERBICIDE COMPOSITION AND WEED CONTROLLING METHOD SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2025-10-16 US claimed
EP-4593598-A1 STORAGE-STABLE COMPOSITIONS INCLUDING BIXLOZONE AND BEFLUBUTAMID FMC Corporation (US) 2025-08-06 EP claimed
EP-4577047-A1 HERBICIDAL COMPOSITIONS Bayer Aktiengesellschaft (DE) 2025-07-02 EP claimed
CN-120157600-A Synthesis method of octanoyl bromoxynil technical product 江苏禾本生化有限公司 2025-06-17 CN claimed
EP-4566449-A1 HERBICIDE COMPOSITION COMPRISING URACIL COMPOUND COMPRISING CARBOXYLATE FRAGMENT AND USE OF HERBICIDE COMPOSITION Jiangsu Flag Chemical Industry Co., Ltd (CN) 2025-06-11 EP claimed
US-20250176550-A1 HERBICIDE COMPOSITION OF URACIL COMPOUND CONTAINING CARBOXYLATE FRAGMENT AND THE USE THEREOF JIANGSU FLAG CHEMICAL INDUSTRY CO., LTD. (CN) 2025-06-05 US claimed
US-20250176544-A1 A process for the Preparation Nitrile Herbicides, their Esters and Salts GHARDA CHEMICALS LIMITED (IN) 2025-06-05 US claimed
CN-119744118-A Herbicidal composition 拜耳公司 2025-04-01 CN claimed
EP-0371212-A2 Herbicidal aqueous bases microemulsion compositions AMERICAN CYANAMID COMPANY (US) 1990-06-06 EP claimed
EP-0354046-A2 Herbicidal method using bromoxynil MAY & BAKER LIMITED (GB) 1990-02-07 EP claimed
WO-1989003176-A1 LATEX-BASED AGRICULTURAL COMPOSITIONS DOW CHEMICAL COMPANY LIMITED (GB) 1989-04-20 WO claimed
EP-0210818-A1 Herbicidal method comprising the use of diflufenican MAY & BAKER LIMITED (GB) 1987-02-04 EP claimed
EP-0031684-B1 SOLUTIONS OF BROMOXYNIL AND IOXYNIL ESTERS UNION CARBIDE CORPORATION (US) 1983-04-13 EP claimed
US-4349488-A Process for producing esters of 3,5-dibromo-4-hydroxybenzonitrile GREAT LAKES CHEMICAL CORPORATION (US) 1982-09-14 US claimed
US-4332613-A HERBICIDES, STABLE MIXTURES UNION CARBIDE CORPORATION (US) 1982-06-01 US claimed
EP-0031684-A2 Solutions of bromoxynil and ioxynil esters UNION CARBIDE CORPORATION (US) 1981-07-08 EP claimed
EP-0005917-A1 Herbicidal method and mixtures of herbicidal heterocyclic compounds FISONS plc (GB) 1979-12-12 EP claimed
US-3933462-A Mixture of substituted benzothiadiazinones and benzonitriles as herbicides BASF AKTIENGESELLSCHAFT (DT) 1976-01-20 US claimed