⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19329301 | 0.65 | — | — | |
| SCHEMBL17772101 | 0.62 | — | — | |
| SCHEMBL17993985 | 0.61 | — | — | |
| SCHEMBL18573300 | 0.60 | — | — | |
| SCHEMBL6468638 | 0.57 | — | — | |
| SCHEMBL13618519 | 0.57 | — | — | |
| SCHEMBL9902810 | 0.54 | — | — | |
| SCHEMBL27629444 | 0.54 | — | — | |
| SCHEMBL9380706 | 0.54 | — | — | |
| SCHEMBL7937071 | 0.53 | — | — |
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-7855194-B2 | Pyrimidine, quinazoline, pteridine and triazine derivatives | HOFFMANN-LA ROCHE INC. (US) | 2010-12-21 | — | — | US | disclosed |
| US-20070225271-A1 | Pyrimidine, quinazoline, pteridine and triazine derivatives | F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) | 2007-09-27 | — | — | US | disclosed |