⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11427455 | 0.73 | — | — | |
| SCHEMBL5675181 | 0.71 | — | — | |
| SCHEMBL9725595 | 0.71 | — | — | |
| SCHEMBL148249 | 0.67 | — | — | |
| SCHEMBL148248 | 0.67 | — | — | |
| SCHEMBL28331650 | 0.67 | — | — | |
| SCHEMBL8146 | 0.65 | — | — | |
| SCHEMBL9186823 | 0.65 | — | — | |
| Butadiene SCHEMBL8861155 | 0.62 | — | — | |
| Butadiene SCHEMBL8861158 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5171356-A | Thiolcarbamate and nonphytotoxic extender which minimizes soil degradation | ICI AMERICAS INC. (US) | 1992-12-15 | — | — | US | disclosed |