⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20016961 | 1.00 | — | — | |
| SCHEMBL14524864 | 0.78 | — | — | |
| SCHEMBL10396902 | 0.78 | — | — | |
| SCHEMBL2337444 | 0.78 | ALDH1A1 (0.56) | — | |
| SCHEMBL2594598 | 0.77 | — | — | |
| SCHEMBL14877285 | 0.77 | — | — | |
| SCHEMBL28077587 | 0.77 | SLC22A6 (0.33) | — | |
| SCHEMBL16487987 | 0.77 | ALDH1A1 (0.43) | — | |
| Methyl Alcohol SCHEMBL8009975 | 0.75 | ALDH1A1 (0.53) | — | |
| SCHEMBL1262306 | 0.75 | — | — |
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-113372210-B | Preparation method of beta-ionone | 万华化学集团股份有限公司 | 2022-04-19 | — | — | CN | disclosed |
| CN-113372210-A | Preparation method of beta-ionone | 万华化学集团股份有限公司 | 2021-09-10 | — | — | CN | disclosed |