⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4506004 | 0.90 | HRH3 (0.31) | — | |
| SCHEMBL4515458 | 0.77 | SMYD3 (0.40) | — | |
| SCHEMBL4199349 | 0.77 | KDM4E (0.33) | — | |
| SCHEMBL4511202 | 0.75 | HRH3 (0.39) | — | |
| SCHEMBL4511299 | 0.71 | IKBKB (0.33) | — | |
| SCHEMBL4504695 | 0.69 | PARP1 (0.38) | — | |
| SCHEMBL16005697 | 0.69 | L3MBTL1 (0.39) | — | |
| SCHEMBL4961623 | 0.68 | HTR4 (0.36) | — | |
| SCHEMBL4491512 | 0.67 | IKBKB (0.31) | — | |
| SCHEMBL4190773 | 0.66 | KDM4E (0.34) | — |
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-20090275567-A1 | 2-HETEROCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION | ASTRAZENECA AB (SE) | 2009-11-05 | — | — | US | disclosed |