SCHEMBL8596451

SCHEMBL8596451

Cc1cccc(B(c2cccc(C)c2C)c2cccc(C)c2C)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.46
ATM Q13315 1/20 0.46
CYP2A6 P11509 2/20 0.41
CYP1A2 P05177 1/20 0.41
TSHR P16473 4/20 0.40
ACHE P22303 1/20 0.40
ALDH1A1 P00352 6/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
RAPGEF4 Q8WZA2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
ADRB1 P08588 1/20 0.38
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
CD44 P16070 1/20 0.35
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
CYP3A4 P08684 1/20 0.33

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
SCHEMBL30314457 1.00 TRPA1 (0.46) TRPA1ATMCYP2A6CYP1A2TSHR
SCHEMBL9109699 0.81 TRPA1 (0.44) TRPA1ATMCYP2A6CYP1A2TSHR
SCHEMBL309076 0.81 TRPA1 (0.50) TRPA1ATMCYP2A6CYP1A2TSHR
SCHEMBL29479067 0.81 TRPA1 (0.50) TRPA1ATMCYP2A6CYP1A2TSHR
SCHEMBL22044255 0.80 TRPA1 (0.35) TRPA1ATMCYP2A6CYP1A2TSHR
SCHEMBL4947809 0.79 TRPA1 (0.42) TRPA1ATMCYP2A6CYP1A2TSHR
SCHEMBL12270904 0.77 TRPA1 (0.46) TRPA1ATMCYP2A6CYP1A2TSHR
SCHEMBL126881 0.77 TSHR (0.53) CYP2A6CYP1A2TSHRACHEALDH1A1
SCHEMBL5951494 0.75 TRPA1 (0.39) TRPA1ATMCYP2A6CYP1A2TSHR
SCHEMBL40704 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122059973-A Polycyclic aromatic compound, material for organic device, organic electroluminescent element, display device, and lighting device 爱思开新材料捷恩智株式会社 2026-05-19 CN disclosed
CN-119504805-A Polycyclic aromatic compound, organic electroluminescent element, and display device or lighting device 国立大学法人京都大学 2025-02-25 CN disclosed
CN-119462708-A Polycyclic aromatic compound, organic electroluminescent element, display device, and lighting device 国立大学法人京都大学 2025-02-18 CN disclosed
CN-119241574-A Polycyclic aromatic compound, organic electroluminescent element, display device, and lighting device 国立大学法人京都大学 2025-01-03 CN disclosed
CN-119219683-A Polycyclic aromatic compound, polymer compound, material for organic device, organic electroluminescent element, display device, and lighting device 国立大学法人京都大学 2024-12-31 CN disclosed
CN-119219684-A Polycyclic aromatic compound, polymer compound, material for organic device, organic electroluminescent element, display device, and lighting device 国立大学法人京都大学 2024-12-31 CN disclosed
CN-119219682-A Polycyclic aromatic compound, polymer compound, material for organic device, organic electroluminescent element, display device, and lighting device 国立大学法人京都大学 2024-12-31 CN disclosed
CN-119192208-A Polycyclic aromatic compound, material for organic device, organic electroluminescent element, display device, and lighting device 国立大学法人京都大学 2024-12-27 CN disclosed
CN-119119091-A Polycyclic aromatic compound, organic electroluminescent element, display device, and lighting device 国立大学法人京都大学 2024-12-13 CN disclosed
CN-119119090-A Polycyclic aromatic compound, organic electroluminescent element, and display device or lighting device 国立大学法人京都大学 2024-12-13 CN disclosed
CN-112645967-A Polycyclic aromatic compound, material containing same, organic electroluminescent element, display device, and lighting device 学校法人关西学院 2021-04-13 CN disclosed
CN-112079855-A Polycyclic aromatic compound, polymer compound, and use thereof 学校法人关西学院 2020-12-15 CN disclosed
CN-111560031-A Polycyclic aromatic compound, reactive compound, polymer compound, crosslinked polymer, and use thereof 学校法人关西学院 2020-08-21 CN disclosed
WO-2020040298-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, ILLUMINATION DEVICE, LUMINESCENT LAYER FORMING COMPOSITION, AND COMPOUND 学校法人関西学院 2020-02-27 WO disclosed
US-10559851-B2 Magnesium battery electrolyte TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) 2020-02-11 US disclosed
US-20140147754-A1 MAGNESIUM BATTERY ELECTROLYTE SHANGHAI JIAO TONG UNIVERSITY (CN) 2014-05-29 US disclosed
EP-0574258-B1 Process for producing alpha-olefin polymers MITSUBISHI CHEM CORP (JP) 1998-01-14 EP disclosed
EP-0574258-A2 Process for producing alpha-olefin polymers MITSUBISHI CHEMICAL CORPORATION (JP) 1993-12-15 EP disclosed
US-4416824-A Recovery of triarylboranes by forming boron-containing metal compounds E. I. DU PONT DE NEMOURS & CO. (US) 1983-11-22 US disclosed
US-4394321-A CHEMICAL INTERMEDIATES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1983-07-19 US disclosed