⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5276371 | 0.77 | ALDH1A1 (0.44) | — | |
| SCHEMBL7875334 | 0.75 | — | — | |
| SCHEMBL1191168 | 0.71 | — | — | |
| SCHEMBL4196105 | 0.70 | — | — | |
| SCHEMBL687481 | 0.69 | — | — | |
| SCHEMBL422868 | 0.69 | — | — | |
| Nitric Acid SCHEMBL1173149 | 0.68 | CA5A (0.36) | — | |
| SCHEMBL165882 | 0.67 | — | — | |
| SCHEMBL29034411 | 0.67 | — | — | |
| SCHEMBL27604296 | 0.65 | ALDH1A1 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012123380-A2 | PRODUCTION AND USE OF CYANOGUANIDINE AND CYANAMIDE | PUREGENERATION (UK) LTD (GB) | 2012-09-20 | — | — | WO | disclosed |
| WO-2012123378-A1 | PRODUCTION AND USE OF CYANOGUANIDINE AND CYANAMIDE | PUREGENERATION (UK) LTD (GB) | 2012-09-20 | — | — | WO | disclosed |
| CN-101765368-A | Method of improving the growth of a plant | SYNGENTA PARTICIPATIONS | 2010-06-30 | — | — | CN | disclosed |
| US-4079022-A | SURFACE TREATED WITH CALCIUM, BARIUM, MAGNESIUM, IRON, ALUMINUM, LEAD OR ZINC COMPOUNDS | ICI AMERICAS INC. (US) | 1978-03-14 | — | — | US | disclosed |