⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18722745 | 0.77 | — | — | |
| SCHEMBL30082500 | 0.74 | MCL1 (0.33) | — | |
| SCHEMBL8993350 | 0.74 | — | — | |
| SCHEMBL4899765 | 0.72 | — | — | |
| SCHEMBL923062 | 0.71 | — | — | |
| SCHEMBL15602839 | 0.71 | — | — | |
| Water SCHEMBL28004132 | 0.70 | — | — | |
| SCHEMBL3316103 | 0.70 | — | — | |
| SCHEMBL296964 | 0.69 | MAPT (0.46) | — | |
| SCHEMBL13799020 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0437290-B1 | Process for the preparation of 5-oxohexane nitriles and the compound 2,4-dimethyl-5-oxohexane nitrile | DSM NV (NL) | 1998-05-06 | — | — | EP | claimed |
| EP-0437290-B1 | Process for the preparation of 5-oxohexane nitriles and the compound 2,4-dimethyl-5-oxohexane nitrile | DSM NV (NL) | 1998-05-06 | — | — | EP | disclosed |
| EP-0437290-A1 | Process for the preparation of 5-oxohexane nitriles and the compound 2,4-dimethyl-5-oxohexane nitrile | DSM N.V. (NL) | 1991-07-17 | — | — | EP | disclosed |