⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL859044 | 0.83 | — | — | |
| SCHEMBL9602691 | 0.81 | — | — | |
| SCHEMBL13059251 | 0.80 | — | — | |
| SCHEMBL9600989 | 0.80 | KDM4E (0.37) | — | |
| Hydrochloric Acid SCHEMBL10985285 | 0.79 | KDM4E (0.38) | — | |
| SCHEMBL26937705 | 0.75 | — | — | |
| SCHEMBL12179151 | 0.75 | KDM4E (0.39) | — | |
| SCHEMBL859468 | 0.75 | — | — | |
| SCHEMBL18381552 | 0.75 | — | — | |
| SCHEMBL17080172 | 0.75 | — | — |
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-20100298336-A1 | PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS | UNIVERSITE LAVAL (CA) | 2010-11-25 | — | — | US | disclosed |