⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL121126 | 0.93 | — | — | |
| Ammonia Solution, Strong SCHEMBL30449543 | 0.86 | CA1 (0.30) | — | |
| SCHEMBL2128461 | 0.86 | — | — | |
| SCHEMBL28038075 | 0.86 | — | — | |
| Iodide SCHEMBL2788357 | 0.86 | — | — | |
| SCHEMBL17140368 | 0.86 | — | — | |
| SCHEMBL28298955 | 0.86 | — | — | |
| Phosphine SCHEMBL1155222 | 0.86 | — | — | |
| Hydrogen Sulfide SCHEMBL9633068 | 0.86 | — | — | |
| SCHEMBL28328446 | 0.86 | — | — |
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-109873208-A | A kind of gel polymer electrolyte secondary cell and its preparation | 中国科学院大连化学物理研究所 | 2019-06-11 | — | — | CN | disclosed |