⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL812583 | 0.89 | EPHX2 (0.46) | — | |
| SCHEMBL10012499 | 0.79 | — | — | |
| SCHEMBL735328 | 0.78 | GRIN2D (0.59) | — | |
| SCHEMBL14856654 | 0.78 | GRIN2D (0.59) | — | |
| SCHEMBL12093024 | 0.76 | EPHX2 (0.33) | — | |
| Cyclopentene SCHEMBL9743127 | 0.76 | EPHX2 (0.36) | — | |
| SCHEMBL6806068 | 0.73 | — | — | |
| SCHEMBL4385378 | 0.71 | TSHR (0.53) | — | |
| SCHEMBL12943286 | 0.71 | PKM (0.42) | — | |
| SCHEMBL13559289 | 0.70 | EPHX2 (0.40) | — |
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-3193855-B1 | BICYCLIC COMPOUNDS | RECURIUM IP HOLDINGS LLC (US) | 2021-05-19 | — | — | EP | disclosed |