⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6269405 | 0.87 | KDM4E (0.30) | — | |
| SCHEMBL27795179 | 0.85 | — | — | |
| SCHEMBL27774042 | 0.79 | — | — | |
| SCHEMBL1001072 | 0.79 | — | — | |
| SCHEMBL28796597 | 0.74 | MAOB (0.32) | — | |
| SCHEMBL8585802 | 0.74 | GAA (0.32) | — | |
| SCHEMBL28945459 | 0.70 | — | — | |
| SCHEMBL28924288 | 0.69 | KDM4E (0.31) | — | |
| SCHEMBL27509720 | 0.69 | — | — | |
| SCHEMBL27874345 | 0.69 | HK2 (0.30) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109721508-B | Method for preparing 3-pentenenitrile | 安徽省安庆市曙光化工股份有限公司 | 2022-10-04 | — | — | CN | disclosed |
| CN-109651195-B | Method for producing 3-pentenenitrile through isomerization reaction of 2-pentenenitrile | 安徽省安庆市曙光化工股份有限公司 | 2021-08-24 | — | — | CN | disclosed |