⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24809814 | 0.58 | — | — | |
| SCHEMBL17722337 | 0.56 | — | — | |
| SCHEMBL13967287 | 0.55 | — | — | |
| SCHEMBL22023896 | 0.52 | — | — | |
| SCHEMBL14505419 | 0.52 | — | — | |
| SCHEMBL25129762 | 0.51 | — | — | |
| SCHEMBL5285409 | 0.49 | — | — | |
| SCHEMBL18758176 | 0.47 | — | — | |
| SCHEMBL1694693 | 0.46 | — | — | |
| SCHEMBL16507793 | 0.45 | — | — |
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-20220127271-A1 | NITROGEN-CONTAINING FUSED HETEROCYCLIC SHP2 INHIBITOR COMPOUND, PREPARATION METHOD, AND USE | SHANGHAI RINGENE BIOPHARMA CO., LTD. (CN) | 2022-04-28 | — | — | US | disclosed |