⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8518194 | 1.00 | — | — | |
| SCHEMBL28893817 | 0.97 | — | — | |
| SCHEMBL10739494 | 0.84 | TYMP (0.34) | — | |
| SCHEMBL5197664 | 0.81 | — | — | |
| SCHEMBL5197663 | 0.81 | — | — | |
| SCHEMBL8514541 | 0.81 | — | — | |
| SCHEMBL8671956 | 0.81 | — | — | |
| SCHEMBL8357521 | 0.79 | — | — | |
| SCHEMBL6726934 | 0.79 | — | — | |
| SCHEMBL5198471 | 0.79 | — | — |
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-104045829-B | The alicyclic compound containing polysulfide of crosslinking | 莫门蒂夫性能材料股份有限公司 | 2016-08-31 | — | — | CN | disclosed |