SCHEMBL168677

SCHEMBL168677

C1=CCN2C=CC=CC2=C1

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
SCHEMBL29564458 0.98
SCHEMBL27815530 0.98
Hydrochloric Acid SCHEMBL29350580 0.98 KDM4E (0.31)
SCHEMBL11448164 0.91
Phosphoric Acid SCHEMBL30913886 0.89
Oxalic Acid SCHEMBL30288221 0.89
Pyrimidine SCHEMBL29211317 0.86
Maleic Acid SCHEMBL30353824 0.84 INMT (0.31)
SCHEMBL5853366 0.83
SCHEMBL1127085 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12540128-B2 Substituted pyridazinones as herbicides SYNGENTA CROP PROTECTION AG (CH) 2026-02-03 US claimed
US-20250354054-A1 PROPPANTS DERIVED FROM CROSSLINKING MIXED AROMATIC RESINS EXXONMOBIL TECHNOLOGY & ENGINEERING COMPANY (US) 2025-11-20 US claimed
WO-2025076059-A1 ROCAGLATE DERIVATIVES AND USES THEREOF TRUSTEES OF BOSTON UNIVERSITY (US) 2025-04-10 WO claimed
EP-4519376-A1 PHOTOINITIATOR PACKAGE COMPRISING PHOSPHINE OXIDE PHOTOINITIATORS, COUMARIN-BASED SENSITIZERS AND AMINE ADDITIVES IGM Group B.V. (NL) 2025-03-12 EP claimed
WO-2024201393-A1 METHODS FOR THE SYNTHESIS OF NUCLEOSIDE ANALOGUES AND NUCLEOSIDES ANALOGUES DERIVED THEREFROM SIMON FRASER UNIVERSITY (CA) 2024-10-03 WO claimed
CN-114144409-B Substituted pyridazinones as herbicides 先正达农作物保护股份公司 2024-08-09 CN claimed
US-12031043-B2 Method for synthesizing a micro/nanosphere-containing composite IMAM ABDULRAHMAN BIN FAISAL UNIVERSITY (SA) 2024-07-09 US claimed
EP-3999503-B1 SUBSTITUTED PYRIDAZINONES AS HERBICIDES SYNGENTA CROP PROTECTION AG (CH) 2024-04-03 EP claimed
WO-2024052871-A1 NOVEL RUTHENIUM COMPLEXES, METHOD OF THEIR SYNTHESIS, INTERMEDIATE COMPOUNDS USED IN THIS METHOD, METHOD OF THEIR SYNTHESIS AND USE OF NOVEL RUTHENIUM COMPLEXES IN OLEFIN METATHESIS REACTIONS UNIWERSYTET WARSZAWSKI (PL) 2024-03-14 WO claimed
WO-2023214013-A1 PHOTOINITIATOR PACKAGE COMPRISING PHOSPHINE OXIDE PHOTOINITIATORS, COUMARIN-BASED SENSITIZERS AND AMINE ADDITIVES IGM GROUP B. V. (NL) 2023-11-09 WO claimed
WO-2004113362-A2 LIBRARIES CONTAINING HETEROCYCLIC ORGANIC MOLECULES PREPARED THROUGH INTRAMOLECULAR FORMATION OF N-ACYLIMINIUM IONS CARLSBERG A/S (DK) 2004-12-29 WO claimed
EP-0929538-B1 O?2 -ARYLATED OR O?2 -GLYCOSYLATED 1-SUBSTITUTED DIAZEN-1-IUM-1,2-DIOLATES AND O?2 -SUBSTITUTED 1- (2-CARBOXYLATO)PYRROLIDIN-1-YL]DIAZEN-1-IUM-1,2-DIOLATES US GOV HEALTH & HUMAN SERV (US) 2004-11-24 EP claimed
US-20040201567-A1 Novel microencapsulation processes and compositions for electrophoretic displays E INK CORPORATION 2004-10-14 US claimed
EP-1439187-A1 O2-Arylated or O2-glycosylated 1-substituted diazen-1-ium-1,2-diolates and O2-substituted 1- (2-carboxylato)pyrrolidin-1-yl diazen-1-ium-1,2-diolates The United States Government Office of Technoloy Transfer (US) 2004-07-21 EP claimed
WO-2004012001-A1 NOVEL MICROENCAPSULATION PROCESSES AND COMPOSITIONS FOR ELECTROPHORETIC DISPLAYS SIPIX IMAGING, INC. (US) 2004-02-05 WO claimed
WO-2003095398-A2 POLYDIAZENIUMDIOLATED CYCLIC POLYAMINES WITH POLYPHASIC NITRIC OXIDE RELEASE AND RELATED COMPOUNDS, COMPOSITIONS COMPRISING SAME AND METHODS OF USING SAME THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2003-11-20 WO claimed
US-20030147845-A1 O2-arylated or O2-glycosylated 1-substituted diazen-1-ium-1,2-diolates and O2-substituted 1-[(2-carboxylato) pyrrolidin-1-yl]diazen-1-ium-1,2-diolates GOVERNMENT OF THE USA, THE SECRETARY DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2003-08-07 US claimed
WO-2001092215-A2 SUPEROXIDE-GENERATING DIAZENIUMDIOLATES, COMPOSITIONS COMPRISING SAME, AND METHODS FOR USING SAME US HEALTH (US) 2001-12-06 WO claimed
CN-1072412-A 1 β-ethyl-1 alpha (methylol)-1,2,3,4,6,7,12,12b α-octahydro-indoles be [2,3-a] quinolizine and new intermediate preparation method also RICHTER GEDEON VEGYESZET (HU) 1993-05-26 CN claimed
EP-0299533-B1 HIGH POTENCY SWEETENING AGENTS THE NUTRASWEET COMPANY (a Delaware corporation) (US) 1993-04-07 EP claimed