⚠ 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 SCHEMBL6281536 | 0.96 | DNM1 (0.35) | — | |
| Diethyl Sulfide SCHEMBL28168967 | 0.88 | — | — | |
| Diethyl Sulfide SCHEMBL9330658 | 0.79 | — | — | |
| Diethyl Sulfide SCHEMBL27467058 | 0.79 | — | — | |
| Propylamine SCHEMBL1330797 | 0.78 | — | — | |
| Diethyl Sulfide SCHEMBL1327 | 0.78 | — | — | |
| Diethyl Sulfide SCHEMBL5092086 | 0.78 | TSHR (0.33) | — | |
| Diethyl Sulfide SCHEMBL11391850 | 0.78 | — | — | |
| Propylamine SCHEMBL9181 | 0.78 | — | — | |
| Propylamine SCHEMBL448871 | 0.78 | — | — |
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-108806827-A | Conductive agent for synthetic resin, conductive resin composition, and conductive flooring material | 竹本油脂株式会社 | 2018-11-13 | — | — | CN | disclosed |