⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12515118 | 1.00 | — | — | |
| SCHEMBL1605756 | 1.00 | — | — | |
| SCHEMBL2508657 | 0.77 | — | — | |
| SCHEMBL394228 | 0.73 | ALDH1A1 (0.41) | — | |
| Dimethylketone Cyanohydrin SCHEMBL28274203 | 0.71 | ALDH1A1 (0.40) | — | |
| SCHEMBL11041717 | 0.71 | ALDH1A1 (0.39) | — | |
| Acetonitrile SCHEMBL17394814 | 0.71 | ALDH1A1 (0.39) | — | |
| SCHEMBL14851368 | 0.71 | — | — | |
| SCHEMBL3226761 | 0.69 | — | — | |
| Dimethylketone Cyanohydrin SCHEMBL28204579 | 0.69 | TSHR (0.56) | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0957083-B1 | Process for stabilising cyanhydrines | DSM FINE CHEM AUSTRIA GMBH (AT) | 2002-04-10 | — | — | EP | claimed |
| US-6031123-A | Process for stabilizing cyanohydrins | DSM FINE CHEMICALS AUSTRIA GMBH (AT) | 2000-02-29 | — | — | US | claimed |
| EP-0957083-A2 | Process for stabilising cyanhydrines | DSM Fine Chemicals Austria GmbH (AT) | 1999-11-17 | — | — | EP | claimed |
| EP-0927766-B1 | Enzymatic process for the preparation of (S)-cyanhydrines | DSM FINE CHEM AUSTRIA GMBH (AT) | 2006-06-14 | — | — | EP | disclosed |
| EP-1223168-A1 | Method for the preparation of enantiomerically enriched amino and hydroxyfuranones | DSM Fine Chemicals Austria Nfg GmbH & Co KG (AT) | 2002-07-17 | — | — | EP | disclosed |
| US-6417377-B1 | Process for preparing enantiomer-enriched amino- and hydroxyfuranones | DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) | 2002-07-09 | — | — | US | disclosed |
| EP-0957083-B1 | Process for stabilising cyanhydrines | DSM FINE CHEM AUSTRIA GMBH (AT) | 2002-04-10 | — | — | EP | disclosed |
| US-6225095-B1 | REACTING ALDEHYDE OR KETONE DISSOLVED IN AN ORGANIC, WATER-IMMISCIBLE OR SLIGHTLY MISCIBLE DILUENT, AN AQUEOUS HYDROXYNITRILE LYASE SOLUTION, AND A CYANIDE GROUP DONOR TO FORM AN EMULSION WHICH IS MAINTAINED BY STIRRING | DSM FINE CHEMICALS AUSTRIA GMBH (AT) | 2001-05-01 | — | — | US | disclosed |
| US-6031123-A | Process for stabilizing cyanohydrins | DSM FINE CHEMICALS AUSTRIA GMBH (AT) | 2000-02-29 | — | — | US | disclosed |
| EP-0957083-A2 | Process for stabilising cyanhydrines | DSM Fine Chemicals Austria GmbH (AT) | 1999-11-17 | — | — | EP | disclosed |
| EP-0927766-A1 | Enzymatic process for the preparation of (S)-cyanhydrines | DSM Fine Chemicals Austria GmbH (AT) | 1999-07-07 | — | — | EP | disclosed |
| EP-0632130-B1 | Enzymatic process for the production of aliphatic S-cyanhydrins | DSM FINE CHEM AUSTRIA GMBH (AT) | 1999-06-23 | — | — | EP | disclosed |
| US-5714356-A | Enzymic process for preparing aliphatic S-cyanohydrins | DSM CHEMIE LINZ GMBH (AT) | 1998-02-03 | — | — | US | disclosed |
| EP-0632130-A1 | Enzymatic process for the production of aliphatic S-cyandrines | DSM Chemie Linz GmbH (AT) | 1995-01-04 | — | — | EP | disclosed |