⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2405706 | 1.00 | — | — | |
| SCHEMBL2406287 | 0.86 | GABBR2 (0.43) | — | |
| SCHEMBL2406288 | 0.86 | GABBR2 (0.43) | — | |
| SCHEMBL2405336 | 0.79 | — | — | |
| SCHEMBL2405338 | 0.79 | — | — | |
| SCHEMBL31590918 | 0.78 | LPAR3 (0.34) | — | |
| SCHEMBL2404664 | 0.77 | — | — | |
| SCHEMBL2406357 | 0.77 | — | — | |
| SCHEMBL2404667 | 0.77 | — | — | |
| SCHEMBL31590909 | 0.76 | LPAR3 (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-8772519-B2 | Process for preparing mono-allyl-functionalized dialkylphosphinic acids, salts and esters thereof with allylic compounds, and the use thereof | CLARIANT FINANCE (BVI) LIMITED (VG) | 2014-07-08 | — | — | US | disclosed |
| EP-2367835-B1 | PROCESS FOR PREPARING MONO-ALLYL-FUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS, SALTS AND ESTERS THEREOF WITH ALLYLIC COMPOUNDS, AND THE USE THEREOF | CLARIANT FINANCE BVI LTD (VG) | 2013-12-11 | — | — | EP | disclosed |
| EP-2367835-A1 | PROCESS FOR PREPARING MONO-ALLYL-FUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS, SALTS AND ESTERS THEREOF WITH ALLYLIC COMPOUNDS, AND THE USE THEREOF | Clariant International Ltd. (CH) | 2011-09-28 | — | — | EP | disclosed |
| US-20110213080-A1 | Process for Preparing Mono-Allyl-Functionalized Dialkylphosphinic Acids, Salts and Esters Thereof With Allylic Compounds, and the Use Thereof | CLARIANT FINANCE (BVI) LIMITED (VG) | 2011-09-01 | — | — | US | disclosed |
| WO-2010054722-A1 | PROCESS FOR PREPARING MONO-ALLYL-FUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS, SALTS AND ESTERS THEREOF WITH ALLYLIC COMPOUNDS, AND THE USE THEREOF | CLARIANT INTERNATIONAL LTD (CH) | 2010-05-20 | — | — | WO | disclosed |