⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13101792 | 0.79 | — | — | |
| SCHEMBL83772 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL27188439 | 0.67 | — | — | |
| SCHEMBL13101758 | 0.64 | — | — | |
| SCHEMBL487343 | 0.64 | — | — | |
| SCHEMBL713947 | 0.60 | — | — | |
| SCHEMBL21052401 | 0.60 | — | — | |
| SCHEMBL22028086 | 0.60 | — | — | |
| SCHEMBL28476315 | 0.60 | — | — | |
| SCHEMBL17496498 | 0.60 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023035571-A1 | SYNTHESIS METHOD FOR ESAXERENONE AND INTERMEDIATE THEREOF | 上海鼎雅药物化学科技有限公司 | 2023-03-16 | — | — | WO | disclosed |