⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1768160 | 1.00 | — | — | |
| SCHEMBL3037367 | 0.83 | — | — | |
| SCHEMBL3037364 | 0.83 | — | — | |
| SCHEMBL13369309 | 0.79 | ALDH1A1 (0.52) | — | |
| SCHEMBL8213363 | 0.76 | — | — | |
| SCHEMBL28219561 | 0.75 | ALDH1A1 (0.68) | — | |
| SCHEMBL247631 | 0.74 | — | — | |
| SCHEMBL21706524 | 0.74 | — | — | |
| SCHEMBL8311215 | 0.74 | — | — | |
| SCHEMBL746203 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120219812-A1 | HELICAL-POLYACETYLENE AND DEVICE HAVING THE HELICAL-POLYACETYLENE | CANON KABUSHIKI KAISHA (JP) | 2012-08-30 | — | — | US | disclosed |
| WO-2012048129-A2 | INHIBITORS OF POLO-LIKE KINASE | ELAN PHARMACEUTICALS, INC. (US) | 2012-04-12 | — | — | WO | disclosed |