⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21287452 | 0.70 | — | — | |
| SCHEMBL18461890 | 0.70 | — | — | |
| SCHEMBL21287534 | 0.68 | — | — | |
| SCHEMBL21287591 | 0.68 | — | — | |
| SCHEMBL24108151 | 0.68 | — | — | |
| SCHEMBL23028393 | 0.68 | — | — | |
| SCHEMBL20007956 | 0.67 | ALDH1A1 (0.33) | — | |
| Water SCHEMBL11274467 | 0.65 | ALDH1A1 (0.37) | — | |
| SCHEMBL23914 | 0.65 | — | — | |
| SCHEMBL20008099 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021033153-A1 | PYRAZOLO[3,4-B]PYRAZINE SHP2 PHOSPHATASE INHIBITORS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2021-02-25 | — | — | WO | disclosed |
| WO-2019158019-A1 | PYRIMIDINE-FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 上海青煜医药科技有限公司 | 2019-08-22 | — | — | WO | disclosed |