⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2687087 | 1.00 | — | — | |
| SCHEMBL1405707 | 1.00 | — | — | |
| SCHEMBL374298 | 1.00 | — | — | |
| Bicarbonate SCHEMBL17054410 | 0.97 | SLC22A6 (0.63) | — | |
| SCHEMBL30641549 | 0.87 | SLC22A6 (0.57) | — | |
| SCHEMBL17204173 | 0.87 | SLC22A6 (0.57) | — | |
| SCHEMBL2227091 | 0.87 | SLC22A6 (0.57) | — | |
| SCHEMBL1135965 | 0.87 | SLC22A6 (0.57) | — | |
| SCHEMBL8893904 | 0.87 | SLC22A6 (0.57) | — | |
| SCHEMBL3371887 | 0.87 | SLC22A6 (0.57) | — |
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-118307409-A | Asymmetric synthesis method of beta-hydroxy acid ester with optical purity | 河北悦民生化有限公司 | 2024-07-09 | — | — | CN | disclosed |