⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23299272 | 0.75 | — | — | |
| SCHEMBL19253530 | 0.74 | — | — | |
| SCHEMBL2477631 | 0.69 | IDO1 (0.42) | — | |
| SCHEMBL19253470 | 0.69 | DRD3 (0.34) | — | |
| SCHEMBL2162286 | 0.67 | JAK2 (0.33) | — | |
| SCHEMBL365047 | 0.67 | — | — | |
| SCHEMBL24197645 | 0.67 | JAK2 (0.33) | — | |
| SCHEMBL13907209 | 0.67 | JAK2 (0.33) | — | |
| SCHEMBL15709734 | 0.67 | ALDH1A1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL30503012 | 0.65 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119330909-A | Protein tyrosine phosphatase inhibitors | 上海齐鲁制药研究中心有限公司 | 2025-01-21 | — | — | CN | disclosed |
| CN-111848423-B | Preparation method of tert-butyl 3-oxocyclobutylcarbamate | 尚科生物医药（上海）有限公司 | 2022-10-14 | — | — | CN | disclosed |
| WO-2017144995-A1 | PYRAZOLO[1,5-A]PYRAZIN-4-YL DERIVATIVES AS JAK-INHIBITORS | PFIZER INC. (US) | 2017-08-31 | — | — | WO | disclosed |