⚠ 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 | — | — | |
| SCHEMBL27829658 | 0.87 | — | — | |
| SCHEMBL28290645 | 0.87 | — | — | |
| SCHEMBL27879329 | 0.87 | — | — | |
| SCHEMBL28163719 | 0.75 | — | — | |
| SCHEMBL28841314 | 0.75 | — | — | |
| Hydrogen Sulfide SCHEMBL28290646 | 0.75 | — | — | |
| SCHEMBL27867410 | 0.75 | — | — | |
| SCHEMBL27855806 | 0.75 | — | — | |
| SCHEMBL28836892 | 0.71 | — | — |
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 4 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-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 |