⚠ 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 | |
|---|---|---|---|---|
| Hydrogen Sulfide SCHEMBL28290646 | 0.87 | — | — | |
| SCHEMBL28292023 | 0.87 | — | — | |
| SCHEMBL183400 | 0.82 | — | — | |
| SCHEMBL9466455 | 0.82 | — | — | |
| SCHEMBL62875 | 0.82 | — | — | |
| SCHEMBL28836892 | 0.82 | — | — | |
| SCHEMBL187359 | 0.67 | — | — | |
| SCHEMBL21491099 | 0.67 | — | — | |
| Water SCHEMBL22660878 | 0.67 | — | — | |
| Water SCHEMBL22612536 | 0.67 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109853039-A | A kind of monocrystal material Ba13In12Zn7S38Preparation method and applications | 中国科学院福建物质结构研究所 | 2019-06-07 | — | — | CN | disclosed |
| CN-109778302-A | A kind of monocrystal material and its preparation method and application | 中国科学院福建物质结构研究所 | 2019-05-21 | — | — | CN | disclosed |
| CN-109722707-A | A kind of monocrystal material, preparation method and its application | 中国科学院福建物质结构研究所 | 2019-05-07 | — | — | CN | disclosed |