⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24375060 | 0.76 | KDM1A (0.30) | — | |
| SCHEMBL22393733 | 0.75 | HTR2A (0.38) | — | |
| SCHEMBL23811627 | 0.72 | KDM1A (0.33) | — | |
| SCHEMBL25802341 | 0.71 | PTPN11 (0.33) | — | |
| SCHEMBL25801830 | 0.71 | PTPN11 (0.33) | — | |
| SCHEMBL25803172 | 0.65 | PTPN11 (0.34) | — | |
| SCHEMBL25801832 | 0.65 | KCNH2 (0.33) | — | |
| SCHEMBL24335984 | 0.65 | PTPN11 (0.34) | — | |
| SCHEMBL24336478 | 0.62 | CHRNB2 (0.33) | — | |
| SCHEMBL25231784 | 0.62 | CHRNB2 (0.33) | — |
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 |