⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2501890 | 0.74 | — | — | |
| SCHEMBL2504252 | 0.67 | — | — | |
| SCHEMBL16156624 | 0.65 | — | — | |
| SCHEMBL5693069 | 0.63 | — | — | |
| SCHEMBL2137530 | 0.63 | — | — | |
| SCHEMBL410409 | 0.60 | — | — | |
| SCHEMBL9046953 | 0.59 | — | — | |
| SCHEMBL2501883 | 0.58 | — | — | |
| SCHEMBL548117 | 0.57 | — | — | |
| SCHEMBL9988089 | 0.57 | — | — |
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-0843678-A1 | 1,9-DIAZABICYCLO 4.3.0]NONA-3,8-DIENE DERIVATIVES | LEDERLE (JAPAN), Ltd. (JP) | 1998-05-27 | — | — | EP | disclosed |
| WO-1997006168-A1 | 1,9-DIAZABICYCLO[4.3.0]NONA-3,8-DIENE DERIVATIVES | LEDERLE (JAPAN), LTD. (JP) | 1997-02-20 | — | — | WO | disclosed |