⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1400956 | 0.70 | — | — | |
| SCHEMBL15064149 | 0.70 | — | — | |
| SCHEMBL8330112 | 0.69 | — | — | |
| SCHEMBL3548537 | 0.67 | — | — | |
| SCHEMBL27880589 | 0.67 | — | — | |
| SCHEMBL27829686 | 0.67 | — | — | |
| SCHEMBL29625445 | 0.67 | — | — | |
| SCHEMBL30887305 | 0.67 | — | — | |
| SCHEMBL27534111 | 0.67 | — | — | |
| SCHEMBL11326011 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1118459-C | Pyrimidinedione, pyrimidinetrione, triazinedione, tetrahydroquinazolinedione derivatives as alpha1 adrenergic receptor antagonists | HOFFMANN LA ROCHE (CH) | 2003-08-20 | — | — | CN | disclosed |
| EP-0748800-B1 | Pyrimidinedione, pyrimidinetrione, triazinedione derivatives as alpha-1-adrenergic receptor antagonists | HOFFMANN LA ROCHE (CH) | 2001-05-09 | — | — | EP | disclosed |
| US-5859014-A | USEFUL IN TREATMENT OF DISEASES INVOLVING DIRECTLY OR INDIRECTLY AN OBSTRUCTION OF THE LOWER URINARY TRACT, SUCH ASBENIGN PROSTATE HYPERPLASIA | SYNTEX (U.S.A.) INC. (US) | 1999-01-12 | — | — | US | disclosed |
| CN-1149051-A | Pyrimidinedione, pyrimidinetrione, triazinedione, tetrahydroquinazolinedione derivatives as alpha1 adrenergic receptor antagonists | HOFFMANN LA ROCHE (CH) | 1997-05-07 | — | — | CN | disclosed |
| EP-0748800-A2 | Pyrimidinedione, pyrimidinetrione, triazinedione, tetrahydroquinazolinedione derivatives as alpha-1-adrenergic receptor antagonists | F. HOFFMANN-LA ROCHE AG (CH) | 1996-12-18 | — | — | EP | disclosed |