⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL797265 | 0.87 | — | — | |
| SCHEMBL7194980 | 0.72 | — | — | |
| SCHEMBL797515 | 0.72 | — | — | |
| SCHEMBL796835 | 0.72 | — | — | |
| SCHEMBL16415244 | 0.71 | GABRA1 (0.34) | — | |
| SCHEMBL4622636 | 0.71 | GABRA1 (0.34) | — | |
| SCHEMBL5189625 | 0.71 | — | — | |
| SCHEMBL797516 | 0.71 | — | — | |
| SCHEMBL8602893 | 0.70 | — | — | |
| SCHEMBL797661 | 0.70 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1219657-B1 | POLYARYLENE AND METHOD FOR PRODUCTION THEREOF | JAPAN SCIENCE & TECH AGENCY (JP) | 2008-03-19 | — | — | EP | disclosed |
| US-6586554-B1 | Polyarylene and method for production thereof | JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) | 2003-07-01 | — | — | US | disclosed |
| EP-1219657-A1 | POLYARYLENE AND METHOD FOR PRODUCTION THEREOF | Japan Science and Technology Corporation (JP) | 2002-07-03 | — | — | EP | disclosed |