⚠ 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 SCHEMBL5509124 | 0.71 | — | — | |
| Hydrogen Sulfide SCHEMBL28407190 | 0.71 | — | — | |
| Hydrogen Sulfide SCHEMBL5505566 | 0.71 | — | — | |
| Hydrogen Sulfide SCHEMBL1499803 | 0.71 | — | — | |
| Hydrogen Sulfide SCHEMBL1240379 | 0.71 | — | — | |
| Hydrogen Sulfide SCHEMBL1275283 | 0.71 | — | — | |
| Hydrogen Sulfide SCHEMBL196034 | 0.71 | — | — | |
| Hydrogen Sulfide SCHEMBL2410090 | 0.71 | — | — | |
| Hydrogen Sulfide SCHEMBL134 | 0.71 | — | — | |
| SCHEMBL27281031 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109776489-A | The method of copper catalysis bis- sulphur -3- 40 thione derivatives of phenylpropyl alcohol ynamine sulphur Cyclization 1,2- | 温州大学 | 2019-05-21 | — | — | CN | disclosed |
| CN-104054209-A | Aqueous electrolyte lithium sulfur battery | POLYPLUS BATTERY CO INC | 2014-09-17 | — | — | CN | disclosed |