⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22792423 | 0.81 | KDM4E (0.32) | — | |
| SCHEMBL22792587 | 0.78 | CCR9 (0.31) | — | |
| SCHEMBL21931153 | 0.67 | ALDH1A1 (0.32) | — | |
| SCHEMBL22793158 | 0.67 | EGFR (0.33) | — | |
| SCHEMBL22792420 | 0.64 | DRD1 (0.30) | — | |
| SCHEMBL23346675 | 0.64 | CCR9 (0.33) | — | |
| SCHEMBL18418916 | 0.61 | BRD4 (0.32) | — | |
| SCHEMBL24188609 | 0.60 | — | — | |
| SCHEMBL24188649 | 0.60 | NTRK1 (0.33) | — | |
| SCHEMBL24188614 | 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 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 |