⚠ 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 | |
|---|---|---|---|---|
| Phosphonic Acid SCHEMBL6769953 | 0.83 | — | — | |
| SCHEMBL533350 | 0.71 | — | — | |
| Phosphoric Acid SCHEMBL2580447 | 0.69 | LAP3 (0.39) | — | |
| SCHEMBL6728630 | 0.67 | — | — | |
| SCHEMBL5144163 | 0.67 | — | — | |
| SCHEMBL8386896 | 0.67 | — | — | |
| SCHEMBL2535365 | 0.67 | — | — | |
| SCHEMBL15309950 | 0.66 | TSHR (0.41) | — | |
| SCHEMBL15310039 | 0.66 | TSHR (0.33) | — | |
| SCHEMBL28250775 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9035088-B2 | Method for producing mono-aminofunctionalized dialkylphosphinic acids and esters and salts thereof by means of acrylnitriles and use thereof | CLARIANT FINANCE (BVI) LIMITED (VG) | 2015-05-19 | — | — | US | disclosed |
| US-20110213061-A1 | Method for Producing Mono-Aminofunctionalized Dialkylphosphinic Acids and Esters and Salts Thereof and Use Thereof | CLARIANT FINANCE (BVI) LIMITED (VG) | 2011-09-01 | — | — | US | disclosed |
| US-20110213078-A1 | Method for Producing Mono-Aminofunctionalized Dialkylphosphinic Acids and Esters and Salts Thereof by Means of Acrylnitriles and Use Thereof | CLARIANT FINANCE (BVI) LIMITED (VG) | 2011-09-01 | — | — | US | disclosed |
| US-20110213059-A1 | Method for Producing Mono-Carboxyfunctionalized Dialkylphosphinic Acids and Esters and Salts Thereof by means of Vinylenes-Nitriles and Use Thereof | CLARIANT FINANCE (BVI) LIMITED (VG) | 2011-09-01 | — | — | US | disclosed |