⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2290688 | 1.00 | — | — | |
| SCHEMBL11379317 | 0.75 | — | — | |
| SCHEMBL13476634 | 0.67 | MEN1 (0.30) | — | |
| SCHEMBL5381991 | 0.67 | MEN1 (0.30) | — | |
| SCHEMBL7696717 | 0.67 | — | — | |
| SCHEMBL5381985 | 0.67 | MEN1 (0.30) | — | |
| SCHEMBL306604 | 0.67 | — | — | |
| SCHEMBL465102 | 0.67 | — | — | |
| SCHEMBL9576777 | 0.67 | — | — | |
| SCHEMBL9576775 | 0.67 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2393771-A1 | Method for the synthesis of chiral alpha-aryl propionic acid derivatives | DSM IP Assets B.V. (NL) | 2011-12-14 | — | — | EP | claimed |
| US-20110201732-A1 | Method for Producing Dialkylphosphinic Acids and Esters and Salts Thereof by Means of Allyl Alcohols-Acroleins and use Thereof | CLARIANT FINANCE (BVI) LIMITED (VG) | 2011-08-18 | — | — | US | claimed |
| WO-2010089343-A1 | METHOD FOR THE SYNTHESIS OF CHIRAL ALPHA-ARYL PROPIONIC ACID DERIVATIVES | DSM IP ASSETS B.V. (NL) | 2010-08-12 | — | — | WO | claimed |