⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9819068 | 0.97 | — | — | |
| SCHEMBL8530084 | 0.84 | — | — | |
| SCHEMBL30642013 | 0.71 | — | — | |
| SCHEMBL34846 | 0.66 | — | — | |
| SCHEMBL2582289 | 0.66 | — | — | |
| SCHEMBL3904360 | 0.65 | — | — | |
| SCHEMBL3183928 | 0.65 | — | — | |
| SCHEMBL406223 | 0.65 | — | — | |
| Benzene SCHEMBL27318081 | 0.62 | — | — | |
| SCHEMBL29140243 | 0.62 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-59130265-A | — | — | None | — | — | JP | disclosed |
| JP-S59130265-A | PREPARATION OF SALT OF DIMERCAPTOMALEONITRILE | KAWASAKI KASEI CHEM LTD | 1984-07-26 | — | — | JP | disclosed |