⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28906444 | 0.76 | — | — | |
| SCHEMBL30427115 | 0.74 | ALDH1A1 (0.32) | — | |
| SCHEMBL24663882 | 0.74 | ALDH1A1 (0.32) | — | |
| SCHEMBL29071015 | 0.71 | — | — | |
| SCHEMBL30699826 | 0.69 | — | — | |
| SCHEMBL24985595 | 0.69 | CYP1A2 (0.41) | — | |
| SCHEMBL24616056 | 0.68 | GPR35 (0.30) | — | |
| SCHEMBL25136825 | 0.68 | — | — | |
| SCHEMBL26932615 | 0.68 | CYP1A2 (0.40) | — | |
| SCHEMBL30699586 | 0.68 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0760819-A1 | TRICYCLIC DICARBONYL DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1997-03-12 | — | — | EP | disclosed |
| WO-1995032205-A1 | TRICYCLIC DICARBONYL DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1995-11-30 | — | — | WO | disclosed |