⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1553372 | 0.75 | — | — | |
| SCHEMBL28421175 | 0.75 | — | — | |
| Water SCHEMBL11361709 | 0.73 | — | — | |
| SCHEMBL4854889 | 0.73 | — | — | |
| SCHEMBL23357711 | 0.70 | — | — | |
| SCHEMBL28617184 | 0.70 | — | — | |
| Trimethylammonium SCHEMBL27537657 | 0.70 | CHRM2 (0.34) | — | |
| SCHEMBL904784 | 0.68 | — | — | |
| SCHEMBL1446567 | 0.67 | — | — | |
| SCHEMBL15518874 | 0.67 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7259272-B2 | ω-[2-(polyalkyleneoxy)ethylthio]alkylalkoxysilane derivative and preparation method thereof | KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) | 2007-08-21 | — | — | US | disclosed |
| EP-1762571-A1 | Omega-2-(Polyalkyleneoxy)ethylthio alkylalkoxysilane derivatives and preparation method thereof | KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) | 2007-03-14 | — | — | EP | disclosed |
| US-20070043232-A1 | Omega -[2-(polyalkyleneoxy)ethylthio]alkylalkoxysilane derivative and preparation method thereof | KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY | 2007-02-22 | — | — | US | disclosed |