⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL106259 | 0.83 | — | — | |
| SCHEMBL6551513 | 0.82 | — | — | |
| SCHEMBL703785 | 0.80 | — | — | |
| SCHEMBL23040423 | 0.78 | — | — | |
| SCHEMBL2968531 | 0.78 | — | — | |
| SCHEMBL1595548 | 0.78 | — | — | |
| SCHEMBL702185 | 0.78 | — | — | |
| SCHEMBL702218 | 0.76 | — | — | |
| SCHEMBL1142854 | 0.76 | — | — | |
| SCHEMBL704199 | 0.76 | — | — |
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-102781968-B | Method for producing modified conjugated diene rubber, and rubber composition | JSR CORP | 2015-06-03 | — | — | CN | disclosed |