⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9780858 | 1.00 | — | — | |
| SCHEMBL9780686 | 0.88 | — | — | |
| SCHEMBL9780672 | 0.88 | — | — | |
| SCHEMBL9780802 | 0.88 | — | — | |
| SCHEMBL9780790 | 0.88 | — | — | |
| SCHEMBL9780591 | 0.85 | — | — | |
| SCHEMBL9780597 | 0.85 | — | — | |
| SCHEMBL9810803 | 0.84 | KDM4E (0.44) | — | |
| SCHEMBL2056656 | 0.81 | — | — | |
| SCHEMBL29352132 | 0.81 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0257378-B1 | PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THESE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1991-07-03 | — | — | EP | claimed |
| US-4851519-A | AMIDO NUCLEOSIDES, VIRICIDES | HOFFMANN-LA ROCHE INC. (US) | 1989-07-25 | — | — | US | claimed |
| EP-0257378-B1 | PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THESE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1991-07-03 | — | — | EP | disclosed |
| US-5010060-A | Method of treating herpes simplex viral infection employing pyrimidine derivatives | HOFFMANN-LA ROCHE INC. (US) | 1991-04-23 | — | — | US | disclosed |
| US-4851519-A | AMIDO NUCLEOSIDES, VIRICIDES | HOFFMANN-LA ROCHE INC. (US) | 1989-07-25 | — | — | US | disclosed |