⚠ 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 | |
|---|---|---|---|---|
| Metam SCHEMBL8536698 | 0.96 | CA1 (0.42) | — | |
| Metam SCHEMBL21484 | 0.96 | — | — | |
| Metam SCHEMBL9413373 | 0.92 | — | — | |
| Metam SCHEMBL11483004 | 0.92 | CA1 (0.39) | — | |
| Metam SCHEMBL1086701 | 0.92 | — | — | |
| Metam SCHEMBL11494962 | 0.92 | CA1 (0.39) | — | |
| Metam SCHEMBL722086 | 0.92 | — | — | |
| Metam SCHEMBL2563605 | 0.92 | — | — | |
| Metam SCHEMBL31071021 | 0.92 | — | — | |
| Metam SCHEMBL5801234 | 0.92 | — | — |
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-114853651-B | Method for synthesizing liquid sodium N-methyldithiocarbamate by micro-channel reactor | 烟台中科荣达新材料有限公司 | 2023-11-24 | — | — | CN | disclosed |