⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9903779 | 0.76 | — | — | |
| SCHEMBL685841 | 0.71 | — | — | |
| SCHEMBL13719221 | 0.68 | EPHX2 (0.31) | — | |
| SCHEMBL685659 | 0.68 | — | — | |
| SCHEMBL284284 | 0.67 | NAAA (0.32) | — | |
| SCHEMBL4686391 | 0.67 | — | — | |
| Ethane SCHEMBL28205575 | 0.66 | NAAA (0.31) | — | |
| SCHEMBL6330519 | 0.66 | — | — | |
| SCHEMBL685831 | 0.66 | — | — | |
| SCHEMBL13719223 | 0.66 | EPHX2 (0.33) | — |
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-1930328-B1 | CYANO-CONTAINING POLYCYCLIC ESTERS HAVING LACTONE SKELETONS | DAICEL CHEM (JP) | 2012-06-13 | — | — | EP | disclosed |