⚠ 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 SCHEMBL21798772 | 1.00 | TDP1 (0.33) | — | |
| Methylsulfanylmethane SCHEMBL21798743 | 1.00 | TDP1 (0.33) | — | |
| Methylsulfanylmethane SCHEMBL21798750 | 1.00 | TDP1 (0.33) | — | |
| 1-Propanethiol SCHEMBL2784403 | 0.80 | — | — | |
| Methylsulfanylmethane SCHEMBL9749402 | 0.78 | — | — | |
| 1-Propanethiol SCHEMBL5339688 | 0.77 | — | — | |
| Ethane SCHEMBL3389018 | 0.76 | — | — | |
| SCHEMBL63132 | 0.74 | — | — | |
| SCHEMBL5309363 | 0.74 | — | — | |
| Methylsulfanylmethane SCHEMBL9173804 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021213413-A1 | METAL NEGATIVE ELECTRODE, PREPARATION METHOD THEREFOR, AND SECONDARY BATTERY | 华为技术有限公司 (CN) | 2021-10-28 | — | — | WO | disclosed |