⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2078311 | 0.75 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL21835593 | 0.74 | MLYCD (0.38) | — | |
| SCHEMBL4307277 | 0.72 | — | — | |
| SCHEMBL20588923 | 0.72 | — | — | |
| SCHEMBL5168093 | 0.71 | — | — | |
| SCHEMBL3150437 | 0.70 | KMT2A (0.34) | — | |
| SCHEMBL28297724 | 0.69 | CNR2 (0.44) | — | |
| SCHEMBL5285523 | 0.68 | ALDH1A1 (0.47) | — | |
| SCHEMBL10593163 | 0.68 | — | — | |
| Trimethylammonium SCHEMBL27464061 | 0.68 | HCAR2 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1771457-A1 | ORGANOSILICON COMPOUNDS WITH A MASKED ISOCYANATE GROUP | Wacker Chemie AG (DE) | 2007-04-11 | — | — | EP | disclosed |
| WO-2006012957-A1 | ORGANOSILICON COMPOUNDS WITH A MASKED ISOCYANATE GROUP | WACKER CHEMIE AG (DE) | 2006-02-09 | — | — | WO | disclosed |