⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31019791 | 0.82 | — | — | |
| SCHEMBL9714167 | 0.82 | — | — | |
| SCHEMBL29362076 | 0.82 | — | — | |
| Boric Acid SCHEMBL25195294 | 0.81 | LMNA (0.31) | — | |
| Boric Acid SCHEMBL8851917 | 0.81 | LMNA (0.31) | — | |
| Methoxymethane SCHEMBL818865 | 0.81 | ALDH1A1 (0.31) | — | |
| Boric Acid SCHEMBL5691804 | 0.81 | LMNA (0.31) | — | |
| Boric Acid SCHEMBL28257526 | 0.78 | MEN1 (0.30) | — | |
| SCHEMBL229715 | 0.77 | ALDH1A1 (0.35) | — | |
| SCHEMBL19621 | 0.77 | — | — |
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-115215832-B | Preparation method of 1,4-cyclohexanedione mono ketal | 无锡科华生物科技有限公司 | 2023-06-23 | — | — | CN | disclosed |
| CN-115215832-A | Preparation method of 1,4-cyclohexanedione mono-ketal | 无锡科华生物科技有限公司 | 2022-10-21 | — | — | CN | disclosed |