⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14753352 | 0.82 | — | — | |
| SCHEMBL28769837 | 0.81 | — | — | |
| SCHEMBL924604 | 0.78 | — | — | |
| SCHEMBL17323853 | 0.78 | — | — | |
| SCHEMBL799705 | 0.75 | — | — | |
| Peroxymonophosphate SCHEMBL9451043 | 0.70 | — | — | |
| Peroxymonophosphate SCHEMBL27289792 | 0.67 | FDPS (0.44) | — | |
| Peroxymonophosphate SCHEMBL74096 | 0.67 | — | — | |
| SCHEMBL296672 | 0.67 | — | — | |
| Peroxymonophosphate SCHEMBL31441070 | 0.65 | — | — |
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-20170137590-A1 | METHOD OF MAKING HYDROXYMETHYLPHOSPHONATE, POLYURETHANE FOAM-FORMING COMPOSITIONS, POLYURETHANE FOAM AND ARTICLES MADE THEREFROM | ICL-IP America Inc (US) | 2017-05-18 | — | — | US | disclosed |
| WO-2002102813-A1 | ARYLDIFLUOROMETHYLPHOSPHONIC ACIDS FOR TREATMENT OF DIABETES | MERCK FROSST CANADA & CO. (CA) | 2002-12-27 | — | — | WO | disclosed |