⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL276103 | 0.84 | TDP1 (0.35) | — | |
| SCHEMBL6033622 | 0.81 | TDP1 (0.33) | — | |
| SCHEMBL4287543 | 0.77 | TDP1 (0.31) | — | |
| SCHEMBL10997607 | 0.70 | — | — | |
| SCHEMBL276187 | 0.64 | TDP1 (0.35) | — | |
| SCHEMBL20874087 | 0.64 | ALDH1A1 (0.33) | — | |
| SCHEMBL5632966 | 0.63 | HTT (0.47) | — | |
| SCHEMBL1190533 | 0.63 | — | — | |
| SCHEMBL11841571 | 0.62 | — | — | |
| SCHEMBL7172814 | 0.62 | NPC1 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6620932-B2 | 2-alkoxy group may be introduced into the appropriate pyrimidine derivatives at the start of the reaction | DEGUSSA AG (DE) | 2003-09-16 | — | — | US | disclosed |
| US-20030022908-A1 | 2-alkoxy-5-methoxypyrimidines or their tautomeric forms and methods for producing the same | DEGUSSA AG (DE) | 2003-01-30 | — | — | US | disclosed |