⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22792664 | 0.83 | ALDH1A1 (0.31) | — | |
| SCHEMBL23480218 | 0.74 | CYP3A4 (0.36) | — | |
| SCHEMBL10273089 | 0.74 | PTGS1 (0.34) | — | |
| SCHEMBL22792865 | 0.74 | — | — | |
| SCHEMBL16843333 | 0.68 | GPR3 (0.33) | — | |
| SCHEMBL13532011 | 0.66 | ALDH1A1 (0.40) | — | |
| SCHEMBL69977 | 0.66 | MAPT (0.40) | — | |
| SCHEMBL16744218 | 0.66 | ALDH1A1 (0.51) | — | |
| SCHEMBL24177987 | 0.66 | ALDH1A1 (0.51) | — | |
| SCHEMBL24910485 | 0.66 | TSHR (0.46) | — |
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 |