⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6161515 | 0.81 | — | — | |
| SCHEMBL22224116 | 0.77 | — | — | |
| SCHEMBL8400142 | 0.77 | TSHR (0.50) | — | |
| SCHEMBL11336671 | 0.77 | — | — | |
| SCHEMBL9043256 | 0.77 | ALDH1A1 (0.39) | — | |
| SCHEMBL9425876 | 0.77 | ALDH1A1 (0.39) | — | |
| SCHEMBL753089 | 0.77 | ALDH1A1 (0.39) | — | |
| SCHEMBL9079391 | 0.77 | ALDH1A1 (0.39) | — | |
| SCHEMBL9079828 | 0.77 | ALDH1A1 (0.39) | — | |
| SCHEMBL11139855 | 0.76 | TSHR (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4315846-A | FUNGICIDES | TOKYO ORGANIC CHEMICAL INDUSTRIES, LTD. (JP) | 1982-02-16 | — | — | US | disclosed |
| EP-0037861-A1 | Salts of alkylenebisdithiocarbamic acid derivatives, processes for their preparation, fungicidal compositions containing them and methods of combating fungi | TOKYO ORGANIC CHEMICAL INDUSTRIES, LTD. (JP) | 1981-10-21 | — | — | EP | disclosed |