⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11921165 | 0.76 | EGFR (0.39) | — | |
| SCHEMBL12341089 | 0.75 | CYP2A6 (0.32) | — | |
| SCHEMBL14289100 | 0.72 | — | — | |
| SCHEMBL30103860 | 0.71 | PI4KA (0.45) | — | |
| SCHEMBL12338393 | 0.70 | — | — | |
| SCHEMBL22337664 | 0.70 | EGFR (0.42) | — | |
| SCHEMBL14025364 | 0.70 | PDE3B (0.33) | — | |
| SCHEMBL22792957 | 0.68 | — | — | |
| SCHEMBL14289102 | 0.68 | — | — | |
| SCHEMBL22792952 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20080004273-A1 | Inhibitors of protein tyrosine kinase activity | METHYLGENE, INC. (CA) | 2008-01-03 | — | — | US | disclosed |