SCHEMBL5453551

SCHEMBL5453551

BrCCCCBr.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.63
CYP3A4 P08684 1/20 0.63
ESR1 P03372 3/20 0.48
ESR2 Q92731 3/20 0.48
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 2/20 0.38
TRPA1 O75762 1/20 0.38
TSHR P16473 1/20 0.38
PTPN1 P18031 2/20 0.36
GSK3B P49841 2/20 0.36
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 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
SCHEMBL18115142 0.97 TDP1 (0.60) TDP1CYP3A4ESR1ESR2KDM4E
SCHEMBL319391 0.95 TDP1 (0.63) TDP1CYP3A4ESR1ESR2KDM4E
1,2-Dibromoethane SCHEMBL28837174 0.89 TDP1 (0.71) TDP1CYP3A4ESR1ESR2KDM4E
SCHEMBL4067213 0.89 CYP3A4 (0.50) TDP1CYP3A4ESR1ESR2CES2
SCHEMBL7857041 0.87 CYP3A4 (0.48) TDP1CYP3A4ESR1ESR2CES2
SCHEMBL8165832 0.87 CYP3A4 (0.48) TDP1CYP3A4ESR1ESR2CES2
SCHEMBL10810735 0.87 CYP3A4 (0.48) TDP1CYP3A4ESR1ESR2CES2
SCHEMBL5565882 0.87 CYP3A4 (0.48) TDP1CYP3A4ESR1ESR2CES2
SCHEMBL2648008 0.87 CYP3A4 (0.48) TDP1CYP3A4ESR1ESR2CES2
SCHEMBL9169189 0.87 CYP3A4 (0.48) TDP1CYP3A4ESR1ESR2CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119708056-A Multifunctional cardanol polyoxyethylene ether derivative and preparation method and application thereof 绍兴市富贵花日用品有限公司 2025-03-28 CN disclosed
CN-117730107-A Phosphonium-based polymers and copolymers as additives for chemical mechanical planarization slurries 弗萨姆材料美国有限责任公司 2024-03-19 CN disclosed
CN-116350795-A Mitochondrial targeting fenofibrate acid, construction method and application 南京大学 2023-06-30 CN disclosed
CN-111032660-B Real-time fluorescence imaging sensor for measuring glutathione in organelles and preparation method thereof 塞尔吐温株式会社 2022-09-02 CN disclosed
CN-110302177-B Mitochondrion targeting photo-diagnosis nano-particle and application thereof 南京邮电大学 2022-01-25 CN disclosed
CN-113863022-A Colored coating and artificial leather 美利肯公司 2021-12-31 CN disclosed
CN-112318797-A Colored coating and artificial leather comprising a colorant complex 美利肯公司 2021-02-05 CN disclosed
CN-107295798-B Benzazepine dicarboxamide compound 豪夫迈·罗氏有限公司 2020-10-30 CN disclosed
CN-111032660-A Real-time fluorescence imaging sensor for measuring glutathione in organelles and preparation method thereof 塞尔吐温株式会社 2020-04-17 CN disclosed
US-20070092907-A1 Methods of screening compound probes STANFORD UNIVERSITY 2007-04-26 US disclosed
US-20070092442-A1 F-18-fluorinated phosphonium cation imaging agents and methods of synthesis STANDFORD UNVIERSITY 2007-04-26 US disclosed
EP-1202999-B1 NOVEL 2-DECARBOXY-2-PHOSPHINICO PROSTAGLANDIN F ANALOGS PROCTER & GAMBLE (US) 2003-06-18 EP disclosed
EP-1202999-A1 NOVEL 2-DECARBOXY-2-PHOSPHINICO PROSTAGLANDIN F ANALOGS THE PROCTER & GAMBLE COMPANY (US) 2002-05-08 EP disclosed
US-6372730-B1 PROSTAGLANDINS FOR VISION DEFECTS, CARDIOVASCULAR DISORDERS AND BONE DISORDERS THE PROCTER & GAMBLE COMPANY 2002-04-16 US disclosed
WO-2001010873-A1 NOVEL 2-DECARBOXY-2-PHOSPHINICO PROSTAGLANDIN F ANALOGS THE PROCTER & GAMBLE COMPANY (US) 2001-02-15 WO disclosed