⚠ 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 | |
|---|---|---|---|---|
| Acetone SCHEMBL22494069 | 0.95 | — | — | |
| SCHEMBL28341729 | 0.95 | — | — | |
| Acetone SCHEMBL27692287 | 0.89 | — | — | |
| SCHEMBL5180151 | 0.89 | — | — | |
| SCHEMBL11026359 | 0.89 | — | — | |
| SCHEMBL1331921 | 0.89 | — | — | |
| SCHEMBL298778 | 0.89 | — | — | |
| SCHEMBL1331275 | 0.89 | — | — | |
| SCHEMBL519 | 0.89 | — | — | |
| SCHEMBL1331666 | 0.89 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-100462373-C | Process for producing cycloolefin addition polymer | JSR CORP (JP) | 2009-02-18 | — | — | CN | disclosed |
| CN-1839161-A | Process for producing cycloolefin addition polymer | JSR CORP (JP) | 2006-09-27 | — | — | CN | disclosed |