⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11033598 | 0.86 | — | — | |
| SCHEMBL28077738 | 0.77 | — | — | |
| SCHEMBL4176778 | 0.75 | — | — | |
| SCHEMBL7081895 | 0.73 | — | — | |
| SCHEMBL29079106 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL28847211 | 0.70 | — | — | |
| SCHEMBL9818279 | 0.68 | — | — | |
| SCHEMBL11033596 | 0.68 | — | — | |
| SCHEMBL11033592 | 0.67 | — | — | |
| SCHEMBL27524394 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105593231-B | The PI3K and mTOR inhibitors of conformation limitation | 巴塞尔大学 | 2018-06-05 | — | — | CN | disclosed |