⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5750505 | 0.84 | — | — | |
| SCHEMBL5773265 | 0.84 | — | — | |
| SCHEMBL475828 | 0.84 | — | — | |
| SCHEMBL2039207 | 0.82 | — | — | |
| SCHEMBL17781979 | 0.79 | — | — | |
| SCHEMBL1139057 | 0.79 | — | — | |
| SCHEMBL1139576 | 0.79 | — | — | |
| SCHEMBL11797163 | 0.79 | — | — | |
| SCHEMBL61015 | 0.77 | — | — | |
| SCHEMBL570971 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017139420-A1 | BIOLOGICAL FERMENTATION USING DIHYDROXYACETONE AS A SOURCE OF CARBON | KEMBIOTIX LLC (US) | 2017-08-17 | — | — | WO | disclosed |
| EP-1184380-B1 | Ammonium 3,5,6-trihydroxyhexanoate derivatives and preparation process thereof | TAKASAGO PERFUMERY CO LTD (JP) | 2004-02-25 | — | — | EP | disclosed |
| US-20020052515-A1 | Ammonium 3,5,6-trihydroxyhexanoate derivatives and preparation process thereof | TAKASAGO INTERNATIONAL CORPORATION | 2002-05-02 | — | — | US | disclosed |
| US-6365755-B1 | REACTING 3,5,6-TRIHYDROXYHEXANOIC ACID WITH AN AMINE THEN PURIFYING THE RESULTING AMMONIUM COMPOUND BY CRYSTALLIZATION; CHEMICAL INTERMEDIATES FOR HMG-COA REDUCTASE INHIBITOR; STABILITY; PREFERENTIAL STEREOCONFIGURATION | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2002-04-02 | — | — | US | disclosed |
| EP-1184380-A1 | Ammonium 3,5,6-trihydroxyhexanoate derivatives and preparation process thereof | Takasago International Corporation (JP) | 2002-03-06 | — | — | EP | disclosed |