⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22792663 | 0.81 | ALDH1A1 (0.36) | — | |
| SCHEMBL22792869 | 0.74 | — | — | |
| SCHEMBL22792459 | 0.70 | — | — | |
| SCHEMBL22792778 | 0.69 | KMT2A (0.37) | — | |
| SCHEMBL16744219 | 0.68 | KDM4E (0.35) | — | |
| SCHEMBL12067546 | 0.67 | DPP4 (0.34) | — | |
| SCHEMBL20690300 | 0.67 | LMNA (0.41) | — | |
| SCHEMBL24868582 | 0.65 | EIF4A3 (0.34) | — | |
| SCHEMBL8209720 | 0.65 | ALOX15 (0.58) | — | |
| SCHEMBL23480218 | 0.65 | CYP3A4 (0.36) | — |
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 |