⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1291910 | 0.73 | — | — | |
| SCHEMBL24473926 | 0.73 | — | — | |
| Thiodiglycol SCHEMBL8771610 | 0.69 | — | — | |
| Thiodiglycol SCHEMBL10534858 | 0.69 | TDP1 (1.00) | — | |
| Thiodiglycol SCHEMBL40132 | 0.69 | — | — | |
| SCHEMBL16629072 | 0.69 | — | — | |
| SCHEMBL10705412 | 0.67 | — | — | |
| SCHEMBL23159099 | 0.67 | — | — | |
| SCHEMBL178396 | 0.67 | — | — | |
| SCHEMBL19465395 | 0.66 | — | — |
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-2030968-B1 | Sulfur-containing compound, method of preparation and pharmaceutical uses thereof | NAT SUN YAT-SEN UNIV (TW) | 2017-02-22 | — | — | EP | disclosed |