⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16521077 | 0.82 | GABRR1 (0.34) | — | |
| SCHEMBL21174558 | 0.79 | CHRNB2 (0.33) | — | |
| SCHEMBL887166 | 0.75 | — | — | |
| SCHEMBL887165 | 0.75 | — | — | |
| SCHEMBL887215 | 0.75 | — | — | |
| SCHEMBL13324808 | 0.72 | CYP2C9 (0.32) | — | |
| SCHEMBL13951571 | 0.71 | CYP2C9 (0.31) | — | |
| SCHEMBL14387289 | 0.71 | GABRR1 (0.36) | — | |
| SCHEMBL3907343 | 0.71 | — | — | |
| SCHEMBL16190058 | 0.70 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2014171429-A1 | PRODUCTION METHOD FOR SEMICONDUCTOR ELEMENT AND ION IMPLANTATION METHOD | JSR株式会社 (JP) | 2014-10-23 | — | — | WO | disclosed |