⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22792816 | 0.59 | — | — | |
| SCHEMBL22792661 | 0.59 | — | — | |
| SCHEMBL214370 | 0.59 | — | — | |
| SCHEMBL1706716 | 0.54 | — | — | |
| SCHEMBL405287 | 0.53 | — | — | |
| SCHEMBL22941504 | 0.50 | — | — | |
| SCHEMBL31281566 | 0.50 | — | — | |
| SCHEMBL22793177 | 0.46 | — | — | |
| SCHEMBL7974834 | 0.45 | — | — | |
| SCHEMBL8215570 | 0.41 | — | — |
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-20200392128-A1 | NOVEL HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS | JACOBIO PHARMACEUTICALS CO., LTD. (CN) | 2020-12-17 | — | — | US | disclosed |