⚠ 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 SCHEMBL28292024 | 0.89 | — | — | |
| Hydrogen Sulfide SCHEMBL2203154 | 0.87 | — | — | |
| Hydrogen Sulfide SCHEMBL2182434 | 0.87 | — | — | |
| SCHEMBL28290645 | 0.87 | — | — | |
| Hydrogen Sulfide SCHEMBL28471271 | 0.87 | — | — | |
| Hydrogen Sulfide SCHEMBL15064171 | 0.75 | — | — | |
| Hydrogen Sulfide SCHEMBL18279315 | 0.75 | — | — | |
| Hydrogen Sulfide SCHEMBL28524129 | 0.75 | — | — | |
| Phosphine SCHEMBL28901474 | 0.75 | — | — | |
| Hydrogen Sulfide SCHEMBL5442505 | 0.75 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111334848-B | Single crystal material, preparation method and application thereof | 中国科学院福建物质结构研究所 | 2022-03-22 | — | — | CN | disclosed |
| CN-111334866-B | Co-crystal, preparation method and application thereof | 中国科学院福建物质结构研究所 | 2021-09-21 | — | — | CN | disclosed |
| CN-109853039-B | Single crystal material Ba13In12Zn7S38Preparation method and application thereof | 中国科学院福建物质结构研究所 | 2021-04-06 | — | — | CN | disclosed |
| 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-111334866-A | Co-crystal, preparation method and application thereof | 中国科学院福建物质结构研究所 | 2020-06-26 | — | — | CN | disclosed |
| CN-111334848-A | Single crystal material, preparation method and application thereof | 中国科学院福建物质结构研究所 | 2020-06-26 | — | — | CN | disclosed |
| 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 |