⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7641704 | 0.50 | — | — | |
| SCHEMBL654468 | 0.50 | — | — | |
| SCHEMBL13407 | 0.45 | — | — | |
| SCHEMBL14932121 | 0.43 | — | — | |
| SCHEMBL722089 | 0.38 | — | — | |
| Benzoquinone SCHEMBL18103 | 0.35 | — | — | |
| SCHEMBL6851025 | 0.35 | GSK3B (0.44) | — | |
| SCHEMBL2873513 | 0.35 | — | — | |
| SCHEMBL30107638 | 0.35 | — | — | |
| Benzoquinone SCHEMBL3208089 | 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 |
|---|---|---|---|---|---|---|---|
| US-20100305093-A1 | Inhibitors of mTOR and Methods of Making and Using | EXELIXIS, INC. (US) | 2010-12-02 | — | — | US | disclosed |
| WO-2010118208-A1 | BENZOXAZEPIN-4- (5H) -YL DERIVATIVES AND THEIR USE TO TREAT CANCER | EXELIXIS, INC. (US) | 2010-10-14 | — | — | WO | disclosed |