⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9906473 | 0.74 | — | — | |
| SCHEMBL9906474 | 0.71 | ALDH1A1 (0.32) | — | |
| SCHEMBL5450844 | 0.70 | — | — | |
| SCHEMBL13292492 | 0.70 | — | — | |
| SCHEMBL9906476 | 0.69 | — | — | |
| SCHEMBL10470862 | 0.68 | — | — | |
| SCHEMBL2010664 | 0.68 | — | — | |
| SCHEMBL2010660 | 0.68 | — | — | |
| SCHEMBL14170675 | 0.68 | PDE4D (0.32) | — | |
| SCHEMBL15946732 | 0.68 | GAA (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8198276-B2 | Kinase inhibitor compounds | XCOVERY HOLDING COMPANY LLC (US) | 2012-06-12 | — | — | US | disclosed |
| US-20100144768-A1 | KINASE INHIBITOR COMPOUNDS | COMPASS HORIZON FUNDING COMPANY LLC | 2010-06-10 | — | — | US | disclosed |