⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13996286 | 0.80 | MEN1 (0.31) | — | |
| SCHEMBL13513704 | 0.75 | CD40 (0.35) | — | |
| SCHEMBL13513614 | 0.71 | ALDH1A1 (0.34) | — | |
| SCHEMBL13768118 | 0.70 | — | — | |
| SCHEMBL13993747 | 0.70 | — | — | |
| SCHEMBL13910451 | 0.68 | — | — | |
| SCHEMBL13997753 | 0.67 | — | — | |
| SCHEMBL13997754 | 0.64 | — | — | |
| SCHEMBL13844194 | 0.64 | — | — | |
| SCHEMBL13513645 | 0.64 | — | — |
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-1758949-B1 | POLYHYDROXYALKANOATE HAVING VINYL GROUP, ESTER GROUP, CARBOXYL GROUP AND SULFONIC ACID GROUP, AND PRODUCTION METHOD THEREOF | CANON KK (JP) | 2010-01-13 | — | — | EP | disclosed |