⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4813127 | 0.71 | OPRM1 (0.32) | — | |
| SCHEMBL24654194 | 0.68 | — | — | |
| SCHEMBL4813727 | 0.68 | KDM4E (0.33) | — | |
| SCHEMBL2759889 | 0.68 | OPRM1 (0.33) | — | |
| SCHEMBL685738 | 0.65 | KDM4E (0.30) | — | |
| SCHEMBL13383644 | 0.64 | OPRM1 (0.32) | — | |
| SCHEMBL13383461 | 0.63 | — | — | |
| SCHEMBL6744420 | 0.63 | ALDH1A1 (0.31) | — | |
| SCHEMBL6740236 | 0.63 | ALDH1A1 (0.31) | — | |
| SCHEMBL10064059 | 0.63 | CYP3A4 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7407733-B2 | Polymeric compound containing a repeated unit having a 2-oxatricyclo [4.2.1.04,8] nonan-3-one ring and photoresist resin composition | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2008-08-05 | — | — | US | disclosed |