⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4610514 | 0.67 | — | — | |
| SCHEMBL18338463 | 0.54 | — | — | |
| Methylsulfanylmethane SCHEMBL1330443 | 0.44 | — | — | |
| Methylsulfanylmethane SCHEMBL5440614 | 0.44 | — | — | |
| Methylsulfanylmethane SCHEMBL1618 | 0.44 | — | — | |
| SCHEMBL22472209 | 0.41 | — | — | |
| SCHEMBL29888 | 0.40 | — | — | |
| SCHEMBL19920717 | 0.40 | — | — | |
| Methylsulfanylmethane SCHEMBL23701635 | 0.39 | — | — | |
| Methylsulfanylmethane SCHEMBL18834572 | 0.39 | — | — |
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-4450157-A | INSECTICIDES | HOFFMANN-LA ROCHE INC. (US) | 1984-05-22 | — | — | US | disclosed |
| EP-0067956-A1 | Heterocyclic compounds, process for their preparation, pesticides containing these compounds as active substances, as well as the use of such compounds as pesticides | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1982-12-29 | — | — | EP | disclosed |