⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6052827 | 1.00 | — | — | |
| SCHEMBL3991712 | 0.93 | FDPS (0.40) | — | |
| SCHEMBL3991715 | 0.93 | FDPS (0.40) | — | |
| SCHEMBL16079201 | 0.91 | FDPS (0.42) | — | |
| SCHEMBL8637268 | 0.91 | FDPS (0.42) | — | |
| SCHEMBL10616005 | 0.91 | FDPS (0.42) | — | |
| SCHEMBL5697037 | 0.84 | — | — | |
| SCHEMBL6052962 | 0.84 | — | — | |
| SCHEMBL396486 | 0.79 | FDPS (0.34) | — | |
| SCHEMBL6052823 | 0.78 | — | — |
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-0927766-B1 | Enzymatic process for the preparation of (S)-cyanhydrines | DSM FINE CHEM AUSTRIA GMBH (AT) | 2006-06-14 | — | — | 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 |
| EP-0927766-A1 | Enzymatic process for the preparation of (S)-cyanhydrines | DSM Fine Chemicals Austria GmbH (AT) | 1999-07-07 | — | — | EP | disclosed |