⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12489462 | 0.97 | ALDH1A1 (0.71) | — | |
| SCHEMBL42250 | 0.97 | — | — | |
| Lithium SCHEMBL30236840 | 0.94 | — | — | |
| Bromide SCHEMBL30991705 | 0.94 | — | — | |
| SCHEMBL30463850 | 0.94 | — | — | |
| SCHEMBL29244060 | 0.94 | — | — | |
| SCHEMBL5068237 | 0.94 | ALDH1A1 (0.67) | — | |
| SCHEMBL11237074 | 0.94 | — | — | |
| SCHEMBL2143218 | 0.94 | ALDH1A1 (0.77) | — | |
| Hydrochloric Acid SCHEMBL30991704 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116078312-B | Combined production device for dimethyl carbonate and ethylmethyl carbonate and application method thereof | 东营市和瑞化学科技有限公司 | 2023-06-02 | — | — | CN | claimed |
| CN-116078312-A | Combined production device for dimethyl carbonate and ethylmethyl carbonate and application method thereof | 东营市和瑞化学科技有限公司 | 2023-05-09 | — | — | CN | claimed |