⚠ 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 | |
|---|---|---|---|---|
| Benzenemethanethiol SCHEMBL205 | 0.97 | — | — | |
| Benzenemethanethiol SCHEMBL2332621 | 0.93 | — | — | |
| Benzenemethanethiol SCHEMBL28339653 | 0.93 | — | — | |
| Benzenemethanethiol SCHEMBL28837988 | 0.93 | — | — | |
| Benzenemethanethiol SCHEMBL2431700 | 0.93 | — | — | |
| Benzenemethanethiol SCHEMBL8897382 | 0.93 | — | — | |
| Benzenemethanethiol SCHEMBL7357218 | 0.93 | IDO1 (0.93) | — | |
| Benzenemethanethiol SCHEMBL28763459 | 0.93 | — | — | |
| Benzenemethanethiol SCHEMBL29855810 | 0.93 | — | — | |
| Benzenemethanethiol SCHEMBL1690911 | 0.93 | — | — |
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-114436221-B | Stabilizer for preparing insoluble sulfur and preparation method thereof | 嘉兴学院 | 2023-03-10 | — | — | CN | claimed |
| CN-114436221-B | Stabilizer for preparing insoluble sulfur and preparation method thereof | 嘉兴学院 | 2023-03-10 | — | — | CN | disclosed |
| US-6413677-B1 | THIOCARBONATE ELECTROLYTE | UBE INDUSTRIES, LTD. (JP) | 2002-07-02 | — | — | US | disclosed |