⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL867992 | 0.90 | NOS3 (0.31) | — | |
| SCHEMBL401930 | 0.89 | ALDH1A1 (0.33) | — | |
| SCHEMBL400130 | 0.86 | TACR3 (0.32) | — | |
| SCHEMBL400603 | 0.83 | TLR9 (0.36) | — | |
| SCHEMBL397716 | 0.81 | PDE10A (0.34) | — | |
| SCHEMBL2462686 | 0.80 | — | — | |
| SCHEMBL399823 | 0.79 | NR1I3 (0.39) | — | |
| SCHEMBL400492 | 0.79 | NOS3 (0.31) | — | |
| SCHEMBL3042354 | 0.78 | F2 (0.40) | — | |
| SCHEMBL397560 | 0.78 | HPGD (0.32) | — |
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-8735405-B2 | 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors | OSI Pharmaceuticals, LLC (US) | 2014-05-27 | — | — | US | disclosed |
| US-20120196847-A1 | 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors | OSI Pharmaceuticals, LLC | 2012-08-02 | — | — | US | disclosed |
| US-20120077979-A1 | 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors | OSI Pharmaceuticals, LLC | 2012-03-29 | — | — | US | disclosed |