⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11048189 | 0.82 | — | — | |
| SCHEMBL30569675 | 0.78 | — | — | |
| SCHEMBL30899237 | 0.78 | — | — | |
| SCHEMBL5954064 | 0.75 | — | — | |
| SCHEMBL5953801 | 0.75 | — | — | |
| SCHEMBL1779192 | 0.74 | — | — | |
| SCHEMBL9113187 | 0.73 | — | — | |
| SCHEMBL9058828 | 0.73 | — | — | |
| SCHEMBL6371024 | 0.69 | — | — | |
| SCHEMBL8484 | 0.68 | — | — |
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-105143202-B | Dithiocarboxylic acid esters having spermicidal activity and process for their preparation | 科学与工业研究委员会 | 2018-08-14 | — | — | CN | disclosed |