⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14549525 | 1.00 | — | — | |
| SCHEMBL8265762 | 1.00 | — | — | |
| SCHEMBL14780542 | 0.73 | — | — | |
| SCHEMBL13365535 | 0.73 | — | — | |
| SCHEMBL18592619 | 0.73 | — | — | |
| SCHEMBL13149481 | 0.73 | — | — | |
| SCHEMBL13149532 | 0.70 | — | — | |
| SCHEMBL14613230 | 0.70 | — | — | |
| SCHEMBL13639789 | 0.69 | — | — | |
| SCHEMBL10970142 | 0.69 | — | — |
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-1966164-B1 | NOVEL SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE IN MCH-1 MEDIATED DISEASES | JANSSEN PHARMACEUTICA NV (BE) | 2013-03-06 | — | — | EP | disclosed |
| WO-2009133052-A1 | BENZOCYCLOHEPTANE AND BENZOXEPINE DERIVATIVES | JANSSEN PHARMACEUTICA NV (BE) | 2009-11-05 | — | — | WO | disclosed |