⚠ 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 | |
|---|---|---|---|---|
| Diethyl Sulfide SCHEMBL1327 | 0.85 | — | — | |
| Diethyl Sulfide SCHEMBL11391850 | 0.85 | — | — | |
| Diethyl Sulfide SCHEMBL5092086 | 0.85 | TSHR (0.33) | — | |
| Diethyl Sulfide SCHEMBL540234 | 0.80 | — | — | |
| Diethyl Sulfide SCHEMBL1422174 | 0.80 | — | — | |
| Diethyl Sulfide SCHEMBL25414913 | 0.80 | — | — | |
| Diethyl Sulfide SCHEMBL9743857 | 0.80 | — | — | |
| Diethyl Sulfide SCHEMBL8074340 | 0.80 | — | — | |
| Diethyl Sulfide SCHEMBL15059287 | 0.80 | — | — | |
| Diethyl Sulfide SCHEMBL869475 | 0.80 | — | — |
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-105732859-B | Sulfur-tail-end-containing polymer and preparation method thereof | 中国石油天然气股份有限公司 | 2018-06-01 | — | — | CN | disclosed |