⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL215894 | 0.89 | POLB (0.36) | — | |
| SCHEMBL214338 | 0.87 | POLB (0.36) | — | |
| SCHEMBL214638 | 0.81 | PARP1 (0.35) | — | |
| SCHEMBL215904 | 0.80 | MAPT (0.35) | — | |
| SCHEMBL216492 | 0.79 | POLB (0.37) | — | |
| SCHEMBL214939 | 0.78 | POLB (0.36) | — | |
| SCHEMBL214752 | 0.78 | BTK (0.32) | — | |
| SCHEMBL214715 | 0.77 | POLB (0.40) | — | |
| SCHEMBL213661 | 0.77 | TOP2A (0.33) | — | |
| SCHEMBL214140 | 0.77 | POLB (0.48) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2061768-A2 | IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS | Exelixis, Inc. (US) | 2009-05-27 | — | — | EP | disclosed |
| WO-2008042282-A2 | IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS | EXELIXIS, INC. (US) | 2008-04-10 | — | — | WO | disclosed |