⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7146587 | 1.00 | — | — | |
| SCHEMBL7143484 | 0.69 | MEN1 (0.30) | — | |
| SCHEMBL7144459 | 0.68 | BCHE (0.33) | — | |
| SCHEMBL7140452 | 0.68 | ALDH1A1 (0.38) | — | |
| SCHEMBL7140456 | 0.68 | ALDH1A1 (0.38) | — | |
| SCHEMBL7138440 | 0.64 | PRCP (0.38) | — | |
| SCHEMBL6488206 | 0.63 | — | — | |
| SCHEMBL30094463 | 0.63 | — | — | |
| SCHEMBL28820141 | 0.63 | — | — | |
| SCHEMBL7143821 | 0.59 | KDM1A (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0966464-B1 | SUBSTITUTED 2,4-DIAMINOPYRIMIDINES | BASILEA PHARMACEUTICA AG (CH) | 2003-05-28 | — | — | EP | disclosed |
| US-6114330-A | BACTERICIDES | HOFFMANN-LA ROCHE INC. (US) | 2000-09-05 | — | — | US | disclosed |
| EP-0966464-A1 | SUBSTITUTED 2,4-DIAMINOPYRIMIDINES | F. HOFFMANN-LA ROCHE AG (CH) | 1999-12-29 | — | — | EP | disclosed |
| WO-1998039328-A1 | SUBSTITUTED 2,4-DIAMINOPYRIMIDINES | F.HOFFMANN-LA ROCHE AG (CH) | 1998-09-11 | — | — | WO | disclosed |