⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28021247 | 0.74 | MAOB (0.34) | — | |
| SCHEMBL8695942 | 0.74 | CA1 (0.32) | — | |
| SCHEMBL11386965 | 0.73 | — | — | |
| SCHEMBL15346092 | 0.70 | KDM1A (0.30) | — | |
| SCHEMBL1143476 | 0.68 | KDM4E (0.31) | — | |
| SCHEMBL6172341 | 0.68 | CA2 (0.36) | — | |
| SCHEMBL9278597 | 0.66 | — | — | |
| SCHEMBL7406879 | 0.65 | — | — | |
| SCHEMBL4183576 | 0.65 | CA2 (0.37) | — | |
| SCHEMBL29987487 | 0.65 | TSHR (0.31) | — |
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-0778829-A1 | NOVEL 4-AMINOPYRIDAZINES, METHOD OF PREPARING THEM AND DRUGS CONTAINING THESE COMPOUNDS | Roche Diagnostics GmbH (DE) | 1997-06-18 | — | — | EP | disclosed |
| EP-0778839-A1 | NOVEL PHOSPHANE OXIDES, METHOD OF PREPARING THEM AND DRUGS CONTAINING THESE COMPOUNDS | Roche Diagnostics GmbH (DE) | 1997-06-18 | — | — | EP | disclosed |
| WO-1996006832-A1 | NOVEL 4-AMINOPYRIDAZINES, METHOD OF PREPARING THEM AND DRUGS CONTAINING THESE COMPOUNDS | BOEHRINGER MANNHEIM GMBH (DE) | 1996-03-07 | — | — | WO | disclosed |
| WO-1996006849-A1 | NOVEL PHOSPHANE OXIDES, METHOD OF PREPARING THEM AND DRUGS CONTAINING THESE COMPOUNDS | BOEHRINGER MANNHEIM GMBH (DE) | 1996-03-07 | — | — | WO | disclosed |