⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28013163 | 0.88 | — | — | |
| SCHEMBL27536843 | 0.77 | — | — | |
| SCHEMBL27637011 | 0.77 | — | — | |
| SCHEMBL28071565 | 0.77 | — | — | |
| SCHEMBL11323708 | 0.75 | — | — | |
| SCHEMBL28071587 | 0.74 | ALDH1A1 (0.38) | — | |
| SCHEMBL22581581 | 0.74 | — | — | |
| SCHEMBL27636365 | 0.74 | — | — | |
| SCHEMBL28516700 | 0.74 | — | — | |
| SCHEMBL27927020 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1098260-C | 2,4-diaminopyrimidine derivatives | BASLIR PHARMACEUTICALS AG (CH) | 2003-01-08 | — | — | CN | disclosed |
| CN-1218465-A | 2,4-diaminopyrimidine derivatives | HOFFMANN LA ROCHE (CH) | 1999-06-02 | — | — | CN | disclosed |