⚠ 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL10962700 | 0.85 | — | — | |
| SCHEMBL199302 | 0.76 | — | — | |
| SCHEMBL22118875 | 0.76 | — | — | |
| SCHEMBL184378 | 0.76 | — | — | |
| SCHEMBL5404 | 0.76 | — | — | |
| SCHEMBL4599851 | 0.72 | — | — | |
| SCHEMBL6915362 | 0.72 | — | — | |
| SCHEMBL366907 | 0.71 | — | — | |
| SCHEMBL10960858 | 0.71 | — | — | |
| SCHEMBL1153 | 0.71 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024238435-A1 | N,S-DOPED ACENES, METHOD OF SYNTHESIS, ELECTROCHEMICAL SCREENING, AND USE OF SAME FOR BATTERY FABRICATION | RESEARCH TRIANGLE INSTITUTE (US) | 2024-11-21 | — | — | WO | claimed |
| WO-2024238435-A1 | N,S-DOPED ACENES, METHOD OF SYNTHESIS, ELECTROCHEMICAL SCREENING, AND USE OF SAME FOR BATTERY FABRICATION | RESEARCH TRIANGLE INSTITUTE (US) | 2024-11-21 | — | — | WO | disclosed |
| EP-1595863-B1 | QUATERNARY AMMONIUM SALTS | KOEI CHEMICAL CO (JP) | 2010-12-29 | — | — | EP | disclosed |
| US-7411092-B2 | Quaternary ammonium salts | KOEI CHEMICAL COMPANY, LIMITED (JP) | 2008-08-12 | — | — | US | disclosed |
| US-20060166103-A1 | Quaternary ammonium salts | KOEI CHEMICAL COMPANY, LIMITED (JP) | 2006-07-27 | — | — | US | disclosed |
| EP-1595863-A1 | QUATERNARY AMMONIUM SALTS | KOEI CHEMICAL CO., LTD. (JP) | 2005-11-16 | — | — | EP | disclosed |