⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3335740 | 0.70 | ADORA2A (0.53) | — | |
| SCHEMBL826404 | 0.67 | EGFR (0.40) | — | |
| SCHEMBL11825832 | 0.65 | — | — | |
| SCHEMBL2658581 | 0.65 | HSP90AA1 (0.32) | — | |
| SCHEMBL25101034 | 0.64 | — | — | |
| SCHEMBL6429571 | 0.63 | — | — | |
| SCHEMBL7797565 | 0.63 | AKT2 (0.46) | — | |
| SCHEMBL47215 | 0.63 | — | — | |
| SCHEMBL11996675 | 0.63 | NPC1 (0.36) | — | |
| SCHEMBL16181370 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010119878-A1 | PYRIMIDINE COMPOUND AND ITS USE FOR PEST CONTROL | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2010-10-21 | — | — | WO | disclosed |