SCHEMBL177122

SCHEMBL177122

[C]1CCCCCc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
CYP2A6 P11509 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
HPGD P15428 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
BCL2L1 Q07817 1/20 0.33
BAD Q92934 1/20 0.33
KIF11 P52732 1/20 0.32
KDM1A O60341 1/20 0.31
MAPT P10636 1/20 0.31
HTR2C P28335 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
SCHEMBL62945 0.98 TSHR (0.52) TSHRCYP2A6MAOAMAOBHPGD
SCHEMBL9421049 0.98 TSHR (0.52) TSHRCYP2A6MAOAMAOBHPGD
SCHEMBL3884 0.91 TSHR (0.48) TSHRCYP2A6MAOAMAOBHPGD
SCHEMBL286696 0.91 TSHR (0.48) TSHRCYP2A6MAOAMAOBHPGD
SCHEMBL21267 0.81
SCHEMBL1374665 0.81
SCHEMBL16684913 0.81 TSHR (0.48) TSHRCYP2A6MAOAMAOBHPGD
SCHEMBL1098772 0.78 TSHR (0.50) TSHRCYP2A6MAOAMAOBHPGD
Fluoride SCHEMBL31607698 0.77 TSHR (0.48) TSHRCYP2A6MAOAMAOBHPGD
SCHEMBL2952083 0.75 MAOA (0.44) TSHRCYP2A6MAOAMAOBHPGD

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 456 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115417806-A Carbazole compound and organic electroluminescent device thereof 长春海谱润斯科技股份有限公司 2022-12-02 CN claimed
CN-115050900-A Organic electroluminescent device 长春海谱润斯科技股份有限公司 2022-09-13 CN claimed
CN-114907217-A Triamine compound and organic electroluminescent device thereof 长春海谱润斯科技股份有限公司 2022-08-16 CN claimed
CN-114656434-A Tetramine compound and organic electroluminescent device thereof 长春海谱润斯科技股份有限公司 2022-06-24 CN claimed
CN-113735809-A Arylamine derivative and organic electroluminescent device thereof 长春海谱润斯科技股份有限公司 2021-12-03 CN claimed
US-6096895-A Heterocyclic dihydrazole compounds and their use for controlling fungal plant diseases E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-08-01 US claimed
US-6057352-A CONTROLLING PLANT DISEASES CAUSED BY FUNGAL PLANT PATHOGENS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-05-02 US claimed
WO-1998033382-A1 FUNGICIDAL COMPOSITIONS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-08-06 WO claimed
WO-1998023155-A1 ARTHROPODICIDAL AND FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-06-04 WO claimed
EP-0836384-A1 ARTHROPODICIDAL AND FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-04-22 EP claimed
EP-0825992-A1 FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-03-04 EP claimed
EP-0825988-A1 FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-03-04 EP claimed
WO-1997000612-A1 ARTHROPODICIDAL AND FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-01-09 WO claimed
WO-1996036616-A1 FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-11-21 WO claimed
WO-1996036633-A1 FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-11-21 WO claimed
WO-1996036229-A1 FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-11-21 WO claimed
CN-118271249-A Diazonium transfer reagent and preparation method and application thereof 中国科学院上海有机化学研究所 2024-07-02 CN disclosed
CN-118239918-A Preparation method of iridoid compound 山东新时代药业有限公司 2024-06-25 CN disclosed
US-4814483-A IRON CHLORIDE CATALYZED REACTION BAYER AKTIENGESELLSCHAFT (DE) 1989-03-21 US disclosed
US-4139537-A 3-Aryloxy-1-(2- or 4-iminodihydro-1-pyridyl)-2-propanol antiarrhythmic compounds COOPER LABORATORIES, INC. (US) 1979-02-13 US disclosed