SCHEMBL81831

SCHEMBL81831

BrCCCc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.70
SIGMAR1 Q99720 3/20 0.54
MAOA P21397 1/20 0.54
ALDH1A1 P00352 2/20 0.52
TRPA1 O75762 1/20 0.52
TSHR P16473 1/20 0.52
MAOB P27338 2/20 0.52
HTR2A P28223 1/20 0.52
ADRA1A P35348 2/20 0.52
SLC6A3 Q01959 2/20 0.52
CHRM2 P08172 1/20 0.52
HTR1A P08908 1/20 0.52
ADRA2A P08913 1/20 0.52
CHRM1 P11229 1/20 0.52
DRD1 P21728 1/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A4 P31645 1/20 0.52
OPRM1 P35372 1/20 0.52
DRD3 P35462 1/20 0.52
KCNH2 Q12809 1/20 0.52

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
SCHEMBL1007355 0.97 TDP1 (0.67) TDP1SIGMAR1MAOAALDH1A1TRPA1
Phosphine SCHEMBL7322770 0.97 TDP1 (0.67) TDP1SIGMAR1MAOAALDH1A1TRPA1
Hydrochloric Acid SCHEMBL28970403 0.97 TDP1 (0.67) TDP1SIGMAR1MAOAALDH1A1TRPA1
Fluoride Ion SCHEMBL5446842 0.95 TDP1 (0.64) TDP1SIGMAR1MAOAALDH1A1TRPA1
SCHEMBL28792071 0.92 TDP1 (0.67) TDP1SIGMAR1MAOAALDH1A1TRPA1
SCHEMBL80789 0.92 TDP1 (0.67) TDP1SIGMAR1MAOAALDH1A1TRPA1
SCHEMBL17027772 0.90 TDP1 (0.64) TDP1SIGMAR1MAOAMAOBHDAC1
SCHEMBL79441 0.90 TDP1 (0.64) TDP1SIGMAR1MAOAMAOBHDAC1
SCHEMBL2404356 0.90 TDP1 (0.64) TDP1SIGMAR1MAOAMAOBHDAC1
SCHEMBL2162933 0.90 TDP1 (0.64) TDP1SIGMAR1MAOAMAOBHDAC1

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 4091 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12509426-B1 Carbon-14 radioisotope-labeled flonicamid and synthesis method thereof Zhejiang Isotope Labelled Compounds Co., Ltd (CN) 2025-12-30 US claimed
CN-119285540-B Radioisotope carbon-14 labeled flonicamid and synthesis method thereof 浙江爱索拓标记医药科技有限公司 2025-04-04 CN claimed
CN-119390627-A Synthesis method of photocatalytic asymmetric thioether compound 中国人民解放军军事科学院防化研究院 2025-02-07 CN claimed
CN-119285540-A Radioisotope carbon-14 labeled flonicamid and synthesis method thereof 浙江爱索拓标记医药科技有限公司 2025-01-10 CN claimed
CN-116354962-B 12-Nitrogen substituted matric acid ester derivative, preparation method and application thereof 广西大学 2025-01-07 CN claimed
CN-118580249-A 5-Hydroxyfurocoumarin compound, preparation method and application thereof in preparing antiallergic medicine 西安交通大学 2024-09-03 CN claimed
CN-117779469-A Construction method of host and guest of photodynamic/quaternary ammonium salt/boric acid antibacterial composite PET fiber coating 浙江豪欣纺织有限公司 2024-03-29 CN claimed
CN-117756843-A Preparation method of alkyl germanium based on olefin difunctional 南京信息工程大学 2024-03-26 CN claimed
CN-117486929-A Substituted alkyl germanium compound and modularized synthesis method thereof 西安交通大学 2024-02-02 CN claimed
CN-116947802-A Diaryl ether compound based on complex functional aromatic hydrocarbon and preparation method and application thereof 华东理工大学 2023-10-27 CN claimed
CN-1200105-A Isomerization of bisphenols DOW CHEMICAL CO (US) 1998-11-25 CN claimed
EP-0848693-A1 ISOMERIZATION OF BISPHENOLS THE DOW CHEMICAL COMPANY (US) 1998-06-24 EP claimed
WO-1997008122-A1 ISOMERIZATION OF BISPHENOLS THE DOW CHEMICAL COMPANY (US) 1997-03-06 WO claimed
CN-1137788-A Process for making polyphenols from ketones or aldehydes and phenols DOW CHEMICAL CO (US) 1996-12-11 CN claimed
EP-0725771-A1 PROCESS FOR MAKING POLYPHENOLS FROM KETONES OR ALDEHYDES AND PHENOLS THE DOW CHEMICAL COMPANY (US) 1996-08-14 EP claimed
WO-1996006819-A1 PROCESS FOR MAKING POLYPHENOLS FROM KETONES OR ALDEHYDES AND PHENOLS THE DOW CHEMICAL COMPANY (US) 1996-03-07 WO claimed
US-5380910-A Dehalogeno coupling IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 1995-01-10 US claimed
EP-0572521-A1 NEW AND IMPROVED SOLVENT-FREE SYNTHESIS OF ETHEREALLY SUBSTITUTED BLOCKED MONOSACCHARIDES AND THE SELECTIVE HYDROLYSIS THEREOF. GREENWICH PHARMA (US) 1993-12-08 EP claimed
WO-1992014745-A1 NEW AND IMPROVED SOLVENT-FREE SYNTHESIS OF ETHEREALLY SUBSTITUTED BLOCKED MONOSACCHARIDES AND THE SELECTIVE HYDROLYSIS THEREOF GREENWICH PHARMACEUTICALS INCORPORATED (US) 1992-09-03 WO claimed
EP-0499904-A1 Solvent-free synthesis of ethereally substituted blocked monosaccharides and the selective hydrolysis thereof GREENWICH PHARMACEUTICALS INCORPORATED (US) 1992-08-26 EP claimed