⚠ 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 SCHEMBL6678850 | 0.87 | — | — | |
| Hydrogen Sulfide SCHEMBL19972013 | 0.87 | — | — | |
| Hydrogen Sulfide SCHEMBL28526006 | 0.82 | — | — | |
| SCHEMBL156322 | 0.82 | — | — | |
| Hydrogen Sulfide SCHEMBL28719501 | 0.82 | — | — | |
| Hydrogen Sulfide SCHEMBL28393403 | 0.82 | — | — | |
| Hydrogen Sulfide SCHEMBL2783345 | 0.82 | — | — | |
| Hydrogen Sulfide SCHEMBL28833 | 0.82 | — | — | |
| Hydrogen Sulfide SCHEMBL872719 | 0.82 | — | — | |
| Hydrogen Sulfide SCHEMBL28005464 | 0.82 | — | — |
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-112447953-A | Metal selenide sulfide nanocrystalline @ porous carbon sphere material, preparation thereof and application thereof in lithium metal battery | 中南大学 | 2021-03-05 | — | — | CN | disclosed |