⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8615329 | 0.74 | — | — | |
| SCHEMBL25616 | 0.74 | — | — | |
| SCHEMBL3719577 | 0.74 | — | — | |
| SCHEMBL5508742 | 0.70 | — | — | |
| SCHEMBL31548817 | 0.70 | — | — | |
| SCHEMBL6889246 | 0.70 | — | — | |
| SCHEMBL294253 | 0.69 | — | — | |
| SCHEMBL15280130 | 0.69 | — | — | |
| SCHEMBL891648 | 0.67 | — | — | |
| SCHEMBL2791542 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108562621-B | 2-acetyl-1-pyrroline sensitive material film, preparation method thereof, 2-acetyl-1-pyrroline sensing device and application thereof | 中国农业科学院农业信息研究所 | 2020-11-20 | — | — | CN | disclosed |
| CN-107602424-A | A kind of ionic liquid, preparation method and purposes | 中国科学院过程工程研究所 | 2018-01-19 | — | — | CN | disclosed |