⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL97684 | 0.74 | — | — | |
| SCHEMBL4828361 | 0.74 | — | — | |
| SCHEMBL55248 | 0.74 | — | — | |
| SCHEMBL3948153 | 0.70 | — | — | |
| SCHEMBL8615479 | 0.69 | — | — | |
| SCHEMBL6552755 | 0.69 | — | — | |
| SCHEMBL4588466 | 0.67 | — | — | |
| SCHEMBL8191927 | 0.67 | — | — | |
| SCHEMBL8316108 | 0.67 | — | — | |
| SCHEMBL969497 | 0.67 | — | — |
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-20080214754-A1 | DIENE POLYMER AND PROCESS FOR PRODUCING THE SAME | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2008-09-04 | — | — | US | disclosed |