⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8685921 | 0.80 | — | — | |
| SCHEMBL8688563 | 0.80 | — | — | |
| SCHEMBL542129 | 0.76 | — | — | |
| SCHEMBL11086827 | 0.74 | — | — | |
| SCHEMBL28386441 | 0.72 | — | — | |
| SCHEMBL11041068 | 0.72 | — | — | |
| SCHEMBL467866 | 0.69 | — | — | |
| SCHEMBL6418913 | 0.68 | — | — | |
| SCHEMBL5448313 | 0.68 | — | — | |
| SCHEMBL8685247 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4517002-A | Phosphorodiamide urease inhibitors and urease inhibited urea based fertilizer compositions | ALLIED CORPORATION (US) | 1985-05-14 | — | — | US | disclosed |
| EP-0119494-A1 | Urease inhibited urea based fertilizer compositions containing phosphorus compounds | ALLIED CORPORATION (US) | 1984-09-26 | — | — | EP | disclosed |