⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7645433 | 0.86 | ALDH1A1 (0.33) | — | |
| SCHEMBL2484513 | 0.75 | — | — | |
| SCHEMBL349079 | 0.75 | — | — | |
| SCHEMBL16974378 | 0.73 | — | — | |
| SCHEMBL2287833 | 0.73 | — | — | |
| SCHEMBL20575074 | 0.71 | — | — | |
| Phosphonic Acid SCHEMBL28202448 | 0.71 | ALDH1A1 (0.32) | — | |
| SCHEMBL7103732 | 0.70 | — | — | |
| SCHEMBL14445004 | 0.69 | OPRM1 (0.33) | — | |
| SCHEMBL21215266 | 0.69 | OPRM1 (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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2002100871-A1 | NEW COMPOUNDS USEFUL IN REFLUX DISEASE | ASTRAZENECA AB (SE) | 2002-12-19 | — | — | WO | claimed |
| 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-8604232-B2 | Method for producing monoamino-functionalised dialkylphosphinite acids esters and salts and use thereof | CLARIANT FINANCE (BVI) LIMITED (VG) | 2013-12-10 | — | — | 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-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-20110213079-A1 | Method for Producing Monoamino-Functionalised Dialkylphosphinite Acids Esters and Salts and Use Thereof | CLARIANT FINANCE (BVI) LIMITED (VG) | 2011-09-01 | — | — | US | disclosed |
| WO-2002100871-A1 | NEW COMPOUNDS USEFUL IN REFLUX DISEASE | ASTRAZENECA AB (SE) | 2002-12-19 | — | — | WO | disclosed |