⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5915754 | 0.83 | — | — | |
| SCHEMBL11866696 | 0.81 | SOS1 (0.31) | — | |
| SCHEMBL5585716 | 0.81 | — | — | |
| SCHEMBL11088535 | 0.79 | GRIN1 (0.32) | — | |
| SCHEMBL5585851 | 0.69 | — | — | |
| SCHEMBL5585718 | 0.67 | OPRM1 (0.32) | — | |
| SCHEMBL5585792 | 0.67 | — | — | |
| SCHEMBL765988 | 0.60 | — | — | |
| SCHEMBL1753805 | 0.60 | — | — | |
| SCHEMBL12051431 | 0.59 | GAA (0.35) | — |
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-1836238-A1 | FUNCTIONALIZED POLYMERS AND IMPROVED TIRES THEREFROM | Bridgestone Corporation (JP) | 2007-09-26 | — | — | EP | disclosed |
| WO-2006076629-A1 | FUNCTIONALIZED POLYMERS AND IMPROVED TIRES THEREFROM | BRIDGESTONE CORPORATION (JP) | 2006-07-20 | — | — | WO | disclosed |