⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24806615 | 0.79 | TSHR (0.32) | — | |
| SCHEMBL21845056 | 0.79 | TSHR (0.33) | — | |
| SCHEMBL18789266 | 0.77 | — | — | |
| SCHEMBL7073419 | 0.74 | TSHR (0.30) | — | |
| SCHEMBL19383834 | 0.74 | — | — | |
| SCHEMBL10754285 | 0.74 | — | — | |
| SCHEMBL4561427 | 0.74 | — | — | |
| SCHEMBL31885 | 0.73 | — | — | |
| SCHEMBL2352881 | 0.73 | — | — | |
| SCHEMBL6335313 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3848363-B1 | TRICYCLIC SUBSTITUTED PIPERIDINE DIONE COMPOUND | MEDSHINE DISCOVERY INC (CN) | 2023-07-19 | — | — | EP | disclosed |