⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6653762 | 0.91 | — | — | |
| SCHEMBL6659354 | 0.88 | — | — | |
| SCHEMBL14775403 | 0.85 | — | — | |
| SCHEMBL3149693 | 0.80 | — | — | |
| SCHEMBL3667510 | 0.77 | — | — | |
| SCHEMBL14775316 | 0.76 | — | — | |
| SCHEMBL14775417 | 0.76 | KCNK3 (0.30) | — | |
| SCHEMBL18142159 | 0.76 | — | — | |
| SCHEMBL4399059 | 0.74 | — | — | |
| SCHEMBL3671374 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1169356-B1 | POLYOLEFIN PRODUCTION | ATOFINA RES (BE) | 2004-07-14 | — | — | EP | disclosed |