⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL129236 | 0.69 | — | — | |
| SCHEMBL1073224 | 0.67 | — | — | |
| SCHEMBL756473 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL4753573 | 0.67 | — | — | |
| SCHEMBL22684863 | 0.66 | ALDH1A1 (0.33) | — | |
| SCHEMBL3378973 | 0.66 | — | — | |
| Methylamine SCHEMBL4753089 | 0.65 | — | — | |
| SCHEMBL339420 | 0.65 | — | — | |
| Trimethylammonium SCHEMBL27993230 | 0.64 | TSHR (0.32) | — | |
| SCHEMBL216510 | 0.63 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008149375-A1 | IMPROVED ORGANOSILICON COMPOUNDS | RANKA, SEEMA, AJAY (IN) | 2008-12-11 | — | — | WO | claimed |
| US-20080009644-A1 | Organosilicon Compounds | ZYDEX INDUSTRIES | 2008-01-10 | — | — | US | claimed |