⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL609943 | 0.97 | — | — | |
| SCHEMBL27503870 | 0.94 | — | — | |
| SCHEMBL27909972 | 0.80 | GAA (0.42) | — | |
| SCHEMBL8007919 | 0.79 | MCL1 (0.39) | — | |
| SCHEMBL3992204 | 0.78 | — | — | |
| Propionitrile SCHEMBL27629073 | 0.77 | TDP1 (0.62) | — | |
| Propionic Acid SCHEMBL28451920 | 0.76 | FFAR3 (0.53) | — | |
| SCHEMBL81781 | 0.76 | — | — | |
| Propionic Acid SCHEMBL452676 | 0.72 | FFAR3 (0.56) | — | |
| SCHEMBL3899647 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20070037263-A1 | Novel acetoacetyl-coa reductase and process for producing optically active alcohol | KANEKA CORPORATION (JP) | 2007-02-15 | — | — | US | disclosed |
| US-7148055-B2 | Process for production of optically active 3-hydroxypentanenitrile | KANEKA CORPORATION (JP) | 2006-12-12 | — | — | US | disclosed |
| EP-1688480-A2 | NOVEL ACETOACETYL-CoA REDUCTASE AND PROCESS FOR PRODUCING OPTICALLY ACTIVE ALCOHOL | KANEKA CORPORATION (JP) | 2006-08-09 | — | — | EP | disclosed |
| US-20040235124-A1 | Process for production of optically active 3-hydroxy-pentanenitrile | KANEKA CORPORATION (JP) | 2004-11-25 | — | — | US | disclosed |
| EP-1452603-A1 | PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE 3-HYDROXY- PENTANENITRILE | KANEKA CORPORATION (JP) | 2004-09-01 | — | — | EP | disclosed |