⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2729544 | 0.87 | TSHR (0.31) | — | |
| SCHEMBL2685999 | 0.80 | LMNA (0.33) | — | |
| SCHEMBL13255675 | 0.80 | LMNA (0.33) | — | |
| SCHEMBL10127398 | 0.79 | — | — | |
| SCHEMBL16994203 | 0.79 | — | — | |
| SCHEMBL12885590 | 0.78 | — | — | |
| SCHEMBL2719339 | 0.77 | — | — | |
| SCHEMBL4774264 | 0.75 | — | — | |
| SCHEMBL16994571 | 0.75 | — | — | |
| SCHEMBL2732600 | 0.74 | — | — |
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-9101133-B2 | Phenyl-substituted bicyclooctane-1,3-dione-derivatives | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2015-08-11 | — | — | US | disclosed |
| US-9101133-B2 | Phenyl-substituted bicyclooctane-1,3-dione-derivatives | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2015-08-11 | — | — | US | disclosed |
| WO-2012059436-A2 | PHENYL-SUBSTITUTED BICYCLOOCTANE-1,3-DIONE-DERIVATIVES | BAYER CROPSCIENCE AG (DE) | 2012-05-10 | — | — | WO | disclosed |