⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26652 | 0.96 | — | — | |
| SCHEMBL27737828 | 0.93 | — | — | |
| SCHEMBL27614113 | 0.93 | — | — | |
| Benzene SCHEMBL8015594 | 0.90 | CA12 (0.33) | — | |
| SCHEMBL28178974 | 0.87 | CES2 (0.33) | — | |
| SCHEMBL27811632 | 0.84 | CA12 (0.36) | — | |
| SCHEMBL27957563 | 0.84 | CA12 (0.30) | — | |
| SCHEMBL27688162 | 0.84 | CA12 (0.30) | — | |
| Magnesium Chloride Anhydrous SCHEMBL27957562 | 0.84 | CA12 (0.30) | — | |
| SCHEMBL29242535 | 0.80 | — | — |
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-100462373-C | Process for producing cycloolefin addition polymer | JSR CORP (JP) | 2009-02-18 | — | — | CN | disclosed |