⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13158946 | 0.88 | ADH1A (0.42) | — | |
| SCHEMBL967293 | 0.74 | — | — | |
| SCHEMBL13183103 | 0.70 | ADH1A (0.46) | — | |
| SCHEMBL969251 | 0.67 | — | — | |
| SCHEMBL967214 | 0.65 | ADH1A (0.43) | — | |
| SCHEMBL150463 | 0.64 | DRD3 (0.34) | — | |
| SCHEMBL9660966 | 0.64 | ADH1A (0.47) | — | |
| SCHEMBL302802 | 0.64 | ADH1A (0.47) | — | |
| SCHEMBL4374946 | 0.64 | ADH1A (0.42) | — | |
| SCHEMBL9660578 | 0.64 | ADH1A (0.47) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4488993-A | Amidinoureas | WILLIAM H. RORER, INC. | 1984-12-18 | — | — | US | disclosed |
| US-4220658-A | Treatment of hypertension with amidinoureas | WILLIAM H. RORER, INC. (US) | 1980-09-02 | — | — | US | disclosed |
| US-3976643-A | FROM AN ANILINE AND CYANAMIDE | WILLIAM H. RORER, INC. (US) | 1976-08-24 | — | — | US | disclosed |