⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20399762 | 0.80 | HDAC3 (0.33) | — | |
| SCHEMBL29167781 | 0.77 | PTPN11 (0.48) | — | |
| SCHEMBL29167774 | 0.73 | — | — | |
| SCHEMBL23500707 | 0.73 | PTPN11 (0.35) | — | |
| SCHEMBL20399737 | 0.71 | RET (0.41) | — | |
| SCHEMBL30561170 | 0.71 | RET (0.41) | — | |
| SCHEMBL23509006 | 0.67 | RET (0.41) | — | |
| SCHEMBL23500876 | 0.66 | CNR2 (0.35) | — | |
| SCHEMBL28945530 | 0.63 | PTPN11 (0.32) | — | |
| SCHEMBL20400081 | 0.62 | RET (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-117327075-A | Bicyclic compounds as allosteric SHP2 inhibitors | 锐新医药公司 | 2024-01-02 | — | — | CN | disclosed |
| CN-110446709-B | Bicyclic compounds as allosteric SHP2 inhibitors | 锐新医药公司 | 2023-09-12 | — | — | CN | disclosed |