⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9642824 | 0.90 | TK2 (0.57) | — | |
| SCHEMBL9642630 | 0.90 | TK2 (0.55) | — | |
| SCHEMBL9643627 | 0.90 | TK2 (0.57) | — | |
| SCHEMBL9642639 | 0.90 | TK2 (0.55) | — | |
| SCHEMBL9642595 | 0.89 | TK1 (0.61) | — | |
| SCHEMBL9644141 | 0.89 | TK1 (0.61) | — | |
| SCHEMBL9643562 | 0.89 | — | — | |
| SCHEMBL9643578 | 0.89 | — | — | |
| SCHEMBL9810851 | 0.88 | — | — | |
| SCHEMBL9810848 | 0.88 | — | — |
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-0256400-B1 | PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THESE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1992-09-23 | — | — | EP | claimed |
| US-4886785-A | VIRICIDES, HERPES SIMPLEX | HOFFMANN-LA ROCHE INC. (US) | 1989-12-12 | — | — | US | claimed |
| US-4956346-A | URIDINE DERIVATIVES AS VIRICIDES | HOFFMANN-LA ROCHE INC. (US) | 1990-09-11 | — | — | US | disclosed |
| US-4886785-A | VIRICIDES, HERPES SIMPLEX | HOFFMANN-LA ROCHE INC. (US) | 1989-12-12 | — | — | US | disclosed |