⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4104286 | 0.79 | SLC1A3 (0.33) | — | |
| SCHEMBL428739 | 0.79 | — | — | |
| SCHEMBL9160867 | 0.72 | CA1 (0.40) | — | |
| SCHEMBL7965203 | 0.71 | TDP1 (0.33) | — | |
| SCHEMBL7027181 | 0.69 | GRIK1 (0.33) | — | |
| SCHEMBL7024176 | 0.69 | GRIK1 (0.33) | — | |
| Ethyl Hydrogen Phosphonate SCHEMBL31436368 | 0.67 | ALDH1A1 (0.33) | — | |
| Ethyl Hydrogen Phosphonate SCHEMBL31684345 | 0.67 | — | — | |
| SCHEMBL11293242 | 0.67 | — | — | |
| SCHEMBL15970688 | 0.67 | LMNA (0.33) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7112692-B2 | β-ketophosphonates | RHODIA CONSUMER SPECIALTIES, LIMITED (GB) | 2006-09-26 | — | — | US | disclosed |
| EP-1430065-B1 | BETA-KETOPHOSPHONATES | RHODIA CONS SPEC LTD (GB) | 2005-02-02 | — | — | EP | disclosed |
| US-20040267040-A1 | Beta-ketophosphonates | RHODIA CONSUMER SPECIALITIES LIMITED (GB) | 2004-12-30 | — | — | US | disclosed |
| EP-1430065-A1 | BETA-KETOPHOSPHONATES | RHODIA CONSUMER SPECIALTIES LIMITED (GB) | 2004-06-23 | — | — | EP | disclosed |
| WO-2003027129-A1 | BETA-KETOPHOSPHONATES | RHODIA CONSUMER SPECIALTIES LIMITED (GB) | 2003-04-03 | — | — | WO | disclosed |