⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL270819 | 0.79 | — | — | |
| SCHEMBL8901105 | 0.77 | — | — | |
| SCHEMBL11911961 | 0.73 | — | — | |
| SCHEMBL11911960 | 0.73 | — | — | |
| SCHEMBL195589 | 0.73 | — | — | |
| SCHEMBL18759630 | 0.73 | TSHR (0.65) | — | |
| SCHEMBL2954575 | 0.73 | TSHR (0.65) | — | |
| SCHEMBL16817231 | 0.73 | TSHR (0.65) | — | |
| SCHEMBL8634496 | 0.71 | TSHR (0.61) | — | |
| SCHEMBL6543364 | 0.71 | — | — |
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-110167944-A | Substituted pyrazoloazepin-4-ones and their use as phosphodiesterase inhibitors | 利奥制药有限公司 | 2019-08-23 | — | — | CN | disclosed |
| CN-110088108-A | SUBSTITUTED PYRAZOLOAZEPIN-4-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS | 利奥制药有限公司 | 2019-08-02 | — | — | CN | disclosed |