⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18404524 | 1.00 | — | — | |
| SCHEMBL8266884 | 1.00 | — | — | |
| SCHEMBL12425573 | 0.80 | — | — | |
| SCHEMBL8266887 | 0.80 | — | — | |
| SCHEMBL18377851 | 0.78 | — | — | |
| SCHEMBL24225654 | 0.78 | — | — | |
| SCHEMBL14517550 | 0.78 | — | — | |
| SCHEMBL13282614 | 0.78 | — | — | |
| SCHEMBL23029705 | 0.75 | — | — | |
| SCHEMBL12425571 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009133052-A1 | BENZOCYCLOHEPTANE AND BENZOXEPINE DERIVATIVES | JANSSEN PHARMACEUTICA NV (BE) | 2009-11-05 | — | — | WO | disclosed |