⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3322648 | 0.69 | — | — | |
| SCHEMBL3320964 | 0.67 | — | — | |
| SCHEMBL18439056 | 0.65 | — | — | |
| SCHEMBL5114 | 0.64 | — | — | |
| SCHEMBL64399 | 0.62 | — | — | |
| SCHEMBL731014 | 0.61 | — | — | |
| SCHEMBL6122673 | 0.61 | — | — | |
| SCHEMBL12813092 | 0.61 | — | — | |
| SCHEMBL15864055 | 0.61 | — | — | |
| SCHEMBL7009323 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1230224-A1 | SUBSTITUTED 5-BENZYL-2,4-DIAMINOPYRIMIDINES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-08-14 | — | — | EP | disclosed |
| WO-2001032633-A1 | SUBSTITUTED 5-BENZYL-2,4-DIAMINOPYRIMIDINES | BASILEA PHARMACEUTICA AG (CH) | 2001-05-10 | — | — | WO | disclosed |