SCHEMBL40442

SCHEMBL40442

[C]1=N\c2ccccc2/C=C\C=C/1

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
SCHEMBL18935567 0.74 — —
SCHEMBL211354 0.68 TRPA1 (0.30) —
SCHEMBL379612 0.67 TRPA1 (0.33) —
SCHEMBL379614 0.67 TRPA1 (0.33) —
Quinoline SCHEMBL1162952 0.65 TRPA1 (0.31) —
SCHEMBL6123537 0.65 — —
Fluoride SCHEMBL28557472 0.65 TRPA1 (0.32) —
SCHEMBL4500210 0.65 — —
SCHEMBL4500203 0.65 — —
SCHEMBL4649857 0.64 TRPA1 (0.33) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240215579-A1 USE OF ANTI-CLOTTING COMPOUNDS AS RODENTICIDES GULBA DIETRICH (DE) 2024-07-04 — — US disclosed
EP-4319556-A1 USE OF ANTI-CLOTTING COMPOUNDS AS RODENTICIDES Gulba, Dietrich (DE) 2024-02-14 — — EP disclosed
US-11702541-B2 Vesicular system and uses thereof AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2023-07-18 — — US disclosed
US-11678659-B2 Use as rodenticides of compounds that inhibit blood coagulation GULBA DIETRICH (DE) 2023-06-20 — — US disclosed
US-20220040318-A1 PRIMARY AMINE COMPOUND OR SECONDARY AMINE COMPOUND-ACIDIC POLYSACCHARIDE CONJUGATE AND PRODUCTION METHOD THEREFOR SEIKAGAKU CORPORATION (JP) 2022-02-10 — — US disclosed
US-20210015933-A1 BIOACTIVE CARBOXYLIC ACID TYPE COMPOUND-POLYMER CONJUGATE, AND METHOD FOR MANUFACTURING THE SAME SEIKAGAKU CORPORATION (JP) 2021-01-21 — — US disclosed
US-10724903-B2 Polymer encapsulated particles as surface enhanced Raman scattering probes NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2020-07-28 — — US disclosed
US-20200138964-A1 TERTIARY AMINE COMPOUND OR IMINE COMPOUND-POLYMER CONJUGATE AND PRODUCTION METHOD THEREFOR SEIKAGAKU CORPORATION (JP) 2020-05-07 — — US disclosed
US-10464811-B2 Method of forming a particulate porous metal oxide or metalloid oxide NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2019-11-05 — — US disclosed
US-20190322864-A1 VESICULAR SYSTEM AND USES THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-10-24 — — US disclosed
WO-2010027334-A1 NOVEL TRICYCLIC CHIRAL COMPOUNDS AND THEIR USE IN ASYMMETRIC CATALYSIS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2010-03-11 — — WO disclosed
WO-2010027326-A1 PEPTIDE NUCLEIC ACID MONOMERS AND OLIGOMERS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2010-03-11 — — WO disclosed
WO-2009142604-A1 POLYMER ENCAPSULATED PARTICLES AS SURFACE ENHANCED RAMAN SCATTERING PROBES NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2009-11-26 — — WO disclosed
US-20090275065-A1 METHODS AND COMPOUNDS FOR DETECTING BETA-LACTAMASE ACTIVITY NANYANG TECHNOLOGICAL UNIVERSITY 2009-11-05 — — US disclosed
CN-101547858-A Method for functionalizing carbon material AGENCY SCIENCE TECH & RES (SG) 2009-09-30 — — CN disclosed
EP-2084105-A1 METHOD OF FUNCTIONALIZING A CARBON MATERIAL Agency for Science, Technology And Research (SG) 2009-08-05 — — EP disclosed
WO-2009078813-A1 METHOD OF FORMING OSELTAMIVIR AND DERIVATIVES THEREOF NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2009-06-25 — — WO disclosed
WO-2009038544-A1 AMPHIPHILIC POLYMER AND PROCESSES OF FORMING THE SAME AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2009-03-26 — — WO disclosed
WO-2008048192-A1 METHOD OF FUNCTIONALIZING A CARBON MATERIAL AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2008-04-24 — — WO disclosed
WO-2007097719-A1 CYCLISATION PROCESS OF FORMING A MULTIPLE RING COMPOUND NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2007-08-30 — — WO disclosed
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