⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6915635 | 1.00 | — | — | |
| SCHEMBL6912857 | 1.00 | — | — | |
| SCHEMBL6916240 | 1.00 | — | — | |
| SCHEMBL4607590 | 0.80 | — | — | |
| SCHEMBL503261 | 0.79 | — | — | |
| SCHEMBL1576713 | 0.79 | — | — | |
| SCHEMBL1085851 | 0.79 | — | — | |
| SCHEMBL183284 | 0.74 | — | — | |
| SCHEMBL262333 | 0.74 | — | — | |
| SCHEMBL263466 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6818423-B2 | LOW-MOLECULAR-WEIGHT C4-C6-KETONES DERIVATIZED WITH REMOVABLE GROUP ARE REACTED WITH CYANIDE GROUP DONOR IN PRESENCE OF HYDROXYNITRILE LYASE OR BY RACEMIC REACTION, ACIDIC HYDROLYSIS, OPTIONALLY RESOLUTION, AND CLEAVAGE OF THE GROUP | DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AU) | 2004-11-16 | — | — | US | disclosed |
| US-20030092142-A1 | Process for the preparation of chiral alpha-hydroxycarboxylic acids | DSM FINE CHEMICALS AUSTRIA NFG GMBH & COKG (AT) | 2003-05-15 | — | — | US | disclosed |
| EP-1310477-A2 | Process for the preparation of chiral alpha-hydroxycarboxylic acids | DSM Fine Chemicals Austria Nfg GmbH & Co KG (AT) | 2003-05-14 | — | — | EP | disclosed |