⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL762914 | 0.75 | — | — | |
| SCHEMBL1126105 | 0.75 | — | — | |
| SCHEMBL30735720 | 0.75 | — | — | |
| SCHEMBL31180717 | 0.75 | — | — | |
| SCHEMBL29690486 | 0.71 | — | — | |
| SCHEMBL761533 | 0.71 | — | — | |
| SCHEMBL115732 | 0.71 | — | — | |
| SCHEMBL1922433 | 0.71 | — | — | |
| SCHEMBL342702 | 0.71 | — | — | |
| Formaldehyde SCHEMBL29175594 | 0.70 | CCR1 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009111501-A1 | DERIVATIVES OF IMIDAZO [4, 5-D] PYRIDAZINE AND THEIR USE AS ANTI-VIRAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2009-09-11 | — | — | WO | disclosed |
| US-20090226398-A1 | ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE | GENELABS TECHNOLOGIES, INC. | 2009-09-10 | — | — | US | disclosed |