⚠ 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 | |
|---|---|---|---|---|
| Boric Acid SCHEMBL29245183 | 0.84 | — | — | |
| SCHEMBL1126986 | 0.78 | — | — | |
| Boric Acid SCHEMBL28618146 | 0.76 | ARG1 (0.31) | — | |
| Oxalic Acid SCHEMBL28609104 | 0.75 | ARG1 (0.39) | — | |
| SCHEMBL11125457 | 0.70 | TET2 (0.35) | — | |
| Oxalic Acid SCHEMBL28604501 | 0.69 | MEN1 (0.41) | — | |
| Boric Acid SCHEMBL4397384 | 0.68 | MEN1 (0.33) | — | |
| Boric Acid SCHEMBL12537851 | 0.68 | MEN1 (0.33) | — | |
| Boric Acid SCHEMBL29245272 | 0.68 | — | — | |
| Bicarbonate SCHEMBL4357750 | 0.66 | MEN1 (0.42) | — |
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-107431245-B | Nonaqueous electrolyte solution for secondary battery and secondary battery provided with same | 斯泰拉化工公司 | 2021-08-10 | — | — | CN | disclosed |