⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7569930 | 0.96 | — | — | |
| SCHEMBL7571898 | 0.96 | — | — | |
| SCHEMBL7572520 | 0.96 | — | — | |
| SCHEMBL176547 | 0.92 | — | — | |
| Phosphoric Acid SCHEMBL7579299 | 0.88 | CA2 (0.33) | — | |
| SCHEMBL29156607 | 0.88 | — | — | |
| Ammonia Solution, Strong SCHEMBL7569939 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL21065654 | 0.88 | — | — | |
| SCHEMBL7571332 | 0.88 | — | — | |
| Dimethylamine SCHEMBL7571945 | 0.79 | MMP2 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0948505-A1 | HYDROGENATION OF MIXTURES OF CYANOPHOSPHONATES AND GLYCINE | MONSANTO COMPANY (US) | 1999-10-13 | — | — | EP | disclosed |
| US-5859290-A | Hydrogenation of cyanophosphonate derivatives in the presence of a glycine derivative | MONSANTO COMPANY (US) | 1999-01-12 | — | — | US | disclosed |
| WO-1998029421-A1 | HYDROGENATION OF MIXTURES OF CYANOPHOSPHONATES AND GLYCINE | MONSANTO COMPANY (US) | 1998-07-09 | — | — | WO | disclosed |