⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22792901 | 0.85 | — | — | |
| SCHEMBL22792730 | 0.74 | — | — | |
| SCHEMBL22792917 | 0.73 | — | — | |
| SCHEMBL22792664 | 0.71 | ALDH1A1 (0.31) | — | |
| SCHEMBL17430662 | 0.66 | GRM5 (0.36) | — | |
| SCHEMBL22792869 | 0.63 | — | — | |
| SCHEMBL20153298 | 0.63 | ALDH1A1 (0.42) | — | |
| SCHEMBL22792864 | 0.63 | ADRA2A (0.33) | — | |
| SCHEMBL13424834 | 0.61 | ALDH1A1 (0.40) | — | |
| SCHEMBL22792650 | 0.60 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10988466-B2 | Heterocyclic derivatives useful as SHP2 inhibitors | JACOBIO PHARMACEUTICALS CO., LTD. (CN) | 2021-04-27 | — | — | US | disclosed |
| US-20200392128-A1 | NOVEL HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS | JACOBIO PHARMACEUTICALS CO., LTD. (CN) | 2020-12-17 | — | — | US | disclosed |