⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1164637 | 1.00 | — | — | |
| SCHEMBL5470241 | 1.00 | — | — | |
| SCHEMBL14850834 | 0.78 | — | — | |
| SCHEMBL10661661 | 0.75 | — | — | |
| SCHEMBL1883065 | 0.71 | — | — | |
| SCHEMBL3497463 | 0.71 | — | — | |
| SCHEMBL3497861 | 0.71 | — | — | |
| SCHEMBL29277045 | 0.69 | DPP4 (0.30) | — | |
| SCHEMBL4044501 | 0.67 | — | — | |
| SCHEMBL8599560 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2465929-B1 | R-HNL random variants and their use for preparing optically pure, sterically hindered cyanohydrins | DSM IP ASSETS BV (NL) | 2015-12-02 | — | — | EP | disclosed |
| US-8846366-B2 | R-hydroxynitrile lyase (R-HNL) random variants and their use for preparing optically pure, sterically hindered cyanohydrins | DSM IP ASSETS BV (NL) | 2014-09-30 | — | — | US | disclosed |
| EP-2092060-B1 | R-HNL RANDOM VARIANTS AND THEIR USE FOR PREPARING OPTICALLY PURE, STERICALLY HINDERED CYANOHYDRINS | DSM IP ASSETS BV (NL) | 2014-01-22 | — | — | EP | disclosed |
| EP-2465929-A1 | R-HNL random variants and their use for preparing optically pure, sterically hindered cyanohydrins | DSM IP Assets B.V. (NL) | 2012-06-20 | — | — | EP | disclosed |
| US-20100143986-A1 | R-HNL RANDOM VARIANTS AND THEIR USE FOR PREPARING OPTICALLY PURE, STERICALLY HINDERED CYANOHYDRINS | DSM IP ASSETS BV (NL) | 2010-06-10 | — | — | US | disclosed |