⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16199860 | 0.59 | — | — | |
| SCHEMBL452437 | 0.59 | — | — | |
| SCHEMBL12907102 | 0.57 | DAO (0.50) | — | |
| SCHEMBL3760205 | 0.56 | — | — | |
| SCHEMBL857488 | 0.55 | — | — | |
| SCHEMBL857649 | 0.55 | — | — | |
| SCHEMBL2165667 | 0.54 | — | — | |
| SCHEMBL4560336 | 0.53 | ALDH1A1 (0.50) | — | |
| SCHEMBL16714051 | 0.52 | — | — | |
| SCHEMBL13718088 | 0.51 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20100305093-A1 | Inhibitors of mTOR and Methods of Making and Using | EXELIXIS, INC. (US) | 2010-12-02 | — | — | US | disclosed |