⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2439540 | 0.62 | — | — | |
| SCHEMBL5068498 | 0.50 | — | — | |
| Bromide SCHEMBL4252746 | 0.49 | — | — | |
| SCHEMBL571361 | 0.45 | HDAC8 (0.33) | — | |
| SCHEMBL8915474 | 0.34 | — | — | |
| SCHEMBL489988 | 0.34 | — | — | |
| SCHEMBL15484301 | 0.32 | — | — | |
| SCHEMBL3000562 | 0.26 | — | — | |
| SCHEMBL596001 | 0.26 | — | — | |
| SCHEMBL1446340 | 0.26 | — | — |
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 |