⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28292023 | 0.89 | — | — | |
| Hydrogen Sulfide SCHEMBL28290646 | 0.89 | — | — | |
| Hydrogen Sulfide SCHEMBL28314216 | 0.80 | — | — | |
| SCHEMBL27829658 | 0.78 | — | — | |
| Hydrogen Sulfide SCHEMBL2182434 | 0.78 | — | — | |
| Hydrogen Sulfide SCHEMBL2203154 | 0.78 | — | — | |
| Hydrogen Sulfide SCHEMBL28227879 | 0.78 | — | — | |
| Hydrogen Sulfide SCHEMBL28471271 | 0.78 | — | — | |
| Hydrogen Sulfide SCHEMBL268828 | 0.78 | — | — | |
| SCHEMBL28290645 | 0.78 | — | — |
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-109722707-B | Single crystal material, preparation method and application thereof | 中国科学院福建物质结构研究所 | 2021-03-05 | — | — | CN | disclosed |
| CN-109778302-B | Single crystal material and preparation method and application thereof | 中国科学院福建物质结构研究所 | 2021-02-19 | — | — | 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 |