⚠ 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 | |
|---|---|---|---|---|
| 3-Hydroxybutyric Acid, (+/-)- SCHEMBL29008114 | 1.00 | — | — | |
| (R)-3-Hydroxybutanoate SCHEMBL19459353 | 0.97 | — | — | |
| 3-Hydroxybutyric Acid, (+/-)- SCHEMBL16098949 | 0.97 | — | — | |
| (R)-3-Hydroxybutanoate SCHEMBL19896952 | 0.97 | — | — | |
| 3-Hydroxybutyric Acid, (+/-)- SCHEMBL9000274 | 0.97 | — | — | |
| 3-Hydroxybutyric Acid, (+/-)- SCHEMBL21225058 | 0.94 | SLC22A6 (0.50) | — | |
| 3-Hydroxybutyric Acid, (+/-)- SCHEMBL1897117 | 0.94 | SLC22A6 (0.56) | — | |
| (R)-3-Hydroxybutanoate SCHEMBL1533862 | 0.94 | SLC22A6 (0.56) | — | |
| 3-Hydroxybutyric Acid, (+/-)- SCHEMBL1881926 | 0.94 | SLC22A6 (0.56) | — | |
| (R)-3-Hydroxybutanoate SCHEMBL29903959 | 0.94 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115968364-A | Low lead and low arsenic beta-hydroxybutyrate and process for its production | 南京纽邦生物科技有限公司 | 2023-04-14 | — | — | CN | disclosed |