⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL49561 | 0.78 | — | — | |
| SCHEMBL19667830 | 0.73 | — | — | |
| Adamantane SCHEMBL1071737 | 0.70 | L3MBTL1 (0.37) | — | |
| SCHEMBL11654982 | 0.70 | ALDH1A1 (0.42) | — | |
| Adamantane SCHEMBL182780 | 0.67 | ALDH1A1 (0.50) | — | |
| Adamantane SCHEMBL15536146 | 0.67 | ALDH1A1 (0.50) | — | |
| Adamantane SCHEMBL28416430 | 0.67 | CYP2C9 (0.32) | — | |
| Adamantane SCHEMBL7737478 | 0.67 | GRIN2D (0.40) | — | |
| Alcohol SCHEMBL28401219 | 0.67 | — | — | |
| SCHEMBL2058532 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7291747-B2 | Silicon compounds and process for preparation thereof | CHISSO CORPORATION (JP) | 2007-11-06 | — | — | US | disclosed |
| US-20040143081-A1 | Novel silicon compounds and process for preparation thereof | JNC CORPORATION (JP) | 2004-07-22 | — | — | US | disclosed |