⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28164123 | 0.80 | — | — | |
| SCHEMBL28163485 | 0.80 | — | — | |
| SCHEMBL2446248 | 0.77 | — | — | |
| SCHEMBL6516949 | 0.71 | ESR1 (0.31) | — | |
| SCHEMBL6487836 | 0.70 | TAAR1 (0.33) | — | |
| SCHEMBL1031572 | 0.67 | — | — | |
| SCHEMBL1030307 | 0.67 | — | — | |
| SCHEMBL3762114 | 0.67 | ESR1 (0.33) | — | |
| SCHEMBL1030030 | 0.67 | — | — | |
| SCHEMBL4540464 | 0.66 | — | — |
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-109755647-A | A kind of magnesium battery electrolyte | 麻城市天力科技有限公司 | 2019-05-14 | — | — | CN | disclosed |
| CN-107004906-A | Magnesium-containing electrolyte | 和光纯药工业株式会社 | 2017-08-01 | — | — | CN | disclosed |