⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9894424 | 0.81 | — | — | |
| SCHEMBL9733360 | 0.73 | — | — | |
| SCHEMBL25755541 | 0.71 | — | — | |
| SCHEMBL7132326 | 0.71 | — | — | |
| SCHEMBL3632891 | 0.69 | — | — | |
| SCHEMBL18537903 | 0.68 | CA2 (0.42) | — | |
| SCHEMBL17404787 | 0.68 | CA2 (0.42) | — | |
| SCHEMBL15775572 | 0.68 | — | — | |
| SCHEMBL6438042 | 0.68 | — | — | |
| SCHEMBL15775571 | 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 |
|---|---|---|---|---|---|---|---|
| US-5116862-A | Acetylenic trithiabicyclo(2.2.2)octanes | THE WELLCOME FOUNDATION LIMITED (GB) | 1992-05-26 | — | — | US | disclosed |