⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7143956 | 1.00 | — | — | |
| SCHEMBL7142151 | 1.00 | — | — | |
| SCHEMBL7140963 | 0.95 | IDO1 (0.31) | — | |
| SCHEMBL7138982 | 0.95 | IDO1 (0.33) | — | |
| SCHEMBL7141473 | 0.93 | IDO1 (0.35) | — | |
| SCHEMBL7142443 | 0.81 | — | — | |
| SCHEMBL7141506 | 0.78 | — | — | |
| SCHEMBL7137221 | 0.76 | MEN1 (0.34) | — | |
| SCHEMBL7141507 | 0.75 | PSEN1 (0.30) | — | |
| SCHEMBL7138469 | 0.75 | ALDH1A1 (0.32) | — |
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 |