⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3127257 | 0.97 | — | — | |
| SCHEMBL576248 | 0.87 | TP53 (0.31) | — | |
| 1,4-Butanediol SCHEMBL576897 | 0.87 | CA2 (0.31) | — | |
| 1,3-Propanediol SCHEMBL576328 | 0.87 | — | — | |
| Propylene Glycol SCHEMBL575428 | 0.81 | TDP1 (0.43) | — | |
| SCHEMBL11449242 | 0.77 | — | — | |
| SCHEMBL27865504 | 0.74 | — | — | |
| SCHEMBL15786340 | 0.73 | — | — | |
| Sulfuric Acid SCHEMBL28518140 | 0.71 | CA5A (0.43) | — | |
| SCHEMBL4854280 | 0.71 | SLC22A6 (0.40) | — |
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-108886175-B | Silicon-based solid electrolyte for rechargeable batteries | 巴斯夫公司 | 2022-08-02 | — | — | CN | disclosed |