SCHEMBL627768

SCHEMBL627768

CC1=NC=C[N+]1(C)C

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
Hydrochloric Acid SCHEMBL5667274 0.67
Fluoride Ion SCHEMBL7939996 0.62
SCHEMBL61745 0.45
Hexamethylbenzene SCHEMBL114857 0.43 RXFP1 (0.33)
SCHEMBL7463000 0.42
Lithium Ion SCHEMBL1925246 0.42
SCHEMBL7009257 0.40
Hexamethylbenzene SCHEMBL9419367 0.40 RXFP1 (0.31)
Hexamethylbenzene SCHEMBL10952799 0.40 RXFP1 (0.31)
Hexamethylbenzene SCHEMBL10609849 0.40 RXFP1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101489994-B Ionic compound NICHICON CORP 2013-08-28 CN claimed
WO-2008058885-A2 RADIATION-HARDENABLE COATING MASSES BASF SE (DE) 2008-05-22 WO claimed
US-12112836-B2 Artificial intelligence directed zeolite synthesis CHEVRON U.S.A. INC. (US) 2024-10-08 US disclosed
US-20230265053-A1 POLYFUNCTIONAL QUATERNARY AMMONIUM SALT OF SULFONIC ACID HAVING ACTIVE-HYDROGEN GROUPS TOKUYAMA CORPORATION (JP) 2023-08-24 US disclosed
CN-115698220-A Antistatic agent, antistatic resin composition, and molded article 三洋化成工业株式会社 2023-02-03 CN disclosed
US-20220399085-A1 ARTIFICIAL INTELLIGENCE DIRECTED ZEOLITE SYNTHESIS CHEVRON U.S.A. INC. 2022-12-15 US disclosed
CN-107710462-B Electrochemical hydrogen storage electrode and battery 巴斯夫公司 2022-08-02 CN disclosed
US-11249410-B2 Toner CANON KABUSHIKI KAISHA (JP) 2022-02-15 US disclosed
WO-2021241709-A1 POLYFUNCTIONAL QUATERNARY AMMONIUM SALT OF SULFONIC ACID HAVING ACTIVE-HYDROGEN GROUPS 株式会社トクヤマ 2021-12-02 WO disclosed
WO-2021241333-A1 ELECTROLYTE SOLUTION FOR ELECTROCHEMICAL DEVICE, AND ELECTROCHEMICAL DEVICE パナソニックIPマネジメント株式会社 2021-12-02 WO disclosed
WO-2021095711-A1 POLYMERIZABLE COMPOSITION, VEHICLE, AND CURED OBJECT AND PRODUCTION METHOD THEREFOR 株式会社ADEKA 2021-05-20 WO disclosed
US-20070066513-A1 Substituted metal-phthalocyanines, their preparation and the use thereof MOLTENI THERAPEUTICS S.R.L. (IT) 2007-03-22 US disclosed
EP-1711472-A1 MEHTOD FOR PRODUCING IONIC LIQUIDS BASF AKTIENGESELLSCHAFT (DE) 2006-10-18 EP disclosed
US-7099146-B2 Electrolyte for electrochemical capacitor and electrochemical capacitor containing the same SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2006-08-29 US disclosed
US-20060087798-A1 Electrolyte for electrochemical capacitor and electrochemical capacitor containing the same SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2006-04-27 US disclosed
EP-1648845-A1 METHOD FOR EXTRACTING IMPURITIES USING IONIC LIQUIDS BASF AKTIENGESELLSCHAFT (DE) 2006-04-26 EP disclosed
CN-1669100-A Electrolyte for electrochemical capacitor and electrochemical capacitor containing the same SANYO CHEMICAL IND LTD (JP) 2005-09-14 CN disclosed
WO-2005070896-A1 MEHTOD FOR PRODUCING IONIC LIQUIDS BASF AKTIENGESELLSCHAFT (DE) 2005-08-04 WO disclosed
EP-1548769-A1 ELECTROLYTE FOR ELECTROCHEMICAL CAPACITOR AND ELECTROCHEMICAL CAPACITOR CONTAINING THE SAME SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2005-06-29 EP disclosed
WO-2005019137-A1 METHOD FOR EXTRACTING IMPURITIES USING IONIC LIQUIDS BASF AKTIENGESELLSCHAFT (DE) 2005-03-03 WO disclosed