⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28517929 | 0.87 | — | — | |
| SCHEMBL28520538 | 0.83 | PTPN11 (0.32) | — | |
| SCHEMBL23064016 | 0.83 | — | — | |
| SCHEMBL30809737 | 0.80 | RET (0.34) | — | |
| SCHEMBL29070211 | 0.73 | PTPN11 (0.41) | — | |
| SCHEMBL23063926 | 0.71 | RET (0.31) | — | |
| SCHEMBL23126465 | 0.69 | RET (0.38) | — | |
| SCHEMBL30809728 | 0.69 | RET (0.38) | — | |
| SCHEMBL28906903 | 0.67 | PTPN11 (0.41) | — | |
| SCHEMBL23063925 | 0.67 | — | — |
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-112351780-B | Substituted heterocyclic inhibitors of PTPN11 | 纳维尔制药有限公司 | 2023-12-01 | — | — | CN | disclosed |
| CN-112351780-A | Substituted heterocyclic inhibitors of PTPN11 | 纳维尔制药有限公司 | 2021-02-09 | — | — | CN | disclosed |