⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13957781 | 0.73 | CNR2 (0.33) | — | |
| SCHEMBL6359980 | 0.72 | — | — | |
| SCHEMBL2361898 | 0.71 | — | — | |
| SCHEMBL4474063 | 0.70 | — | — | |
| SCHEMBL2399075 | 0.67 | — | — | |
| SCHEMBL31452206 | 0.67 | — | — | |
| SCHEMBL3125628 | 0.67 | ESR2 (0.37) | — | |
| SCHEMBL5969467 | 0.67 | AKR1C3 (0.32) | — | |
| SCHEMBL11205 | 0.66 | MAPT (0.30) | — | |
| SCHEMBL3855051 | 0.66 | MAPT (0.32) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050124658-A1 | Decahydronaphtho[2,3-c]furan derivatives | SEGAMI CHEMICAL RESEARCH CENTER | 2005-06-09 | — | — | US | claimed |
| US-20050124658-A1 | Decahydronaphtho[2,3-c]furan derivatives | SEGAMI CHEMICAL RESEARCH CENTER | 2005-06-09 | — | — | US | disclosed |
| US-20050124658-A1 | Decahydronaphtho[2,3-c]furan derivatives | SEGAMI CHEMICAL RESEARCH CENTER | 2005-06-09 | — | — | US | disclosed |