⚠ 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 | |
|---|---|---|---|---|
| Methylsulfanylmethane SCHEMBL27471108 | 0.89 | — | — | |
| 1,2-Dichloroethane SCHEMBL27810844 | 0.78 | — | — | |
| Methylsulfanylmethane SCHEMBL2580644 | 0.77 | ALDH1A1 (0.33) | — | |
| Methylsulfanylmethane SCHEMBL2580797 | 0.77 | ALDH1A1 (0.33) | — | |
| Methylsulfanylmethane SCHEMBL23701635 | 0.74 | — | — | |
| Methylene Chloride SCHEMBL11189771 | 0.74 | — | — | |
| Methylsulfanylmethane SCHEMBL6940181 | 0.74 | — | — | |
| Methylene Chloride SCHEMBL8073866 | 0.74 | — | — | |
| Methylsulfanylmethane SCHEMBL2501935 | 0.74 | — | — | |
| Methylsulfanylmethane SCHEMBL4498934 | 0.74 | TSHR (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1783110-A1 | NOVEL CYCLOHEXANE DERIVATIVE, PRODRUG THEREOF AND SALT THEREOF, AND THERAPEUTIC AGENT CONTAINING THE SAME FOR DIABETES | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2007-05-09 | — | — | EP | disclosed |