⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9976202 | 0.64 | — | — | |
| SCHEMBL12844806 | 0.64 | — | — | |
| SCHEMBL9798209 | 0.60 | — | — | |
| SCHEMBL12683629 | 0.57 | — | — | |
| SCHEMBL31528329 | 0.57 | — | — | |
| SCHEMBL14934942 | 0.54 | — | — | |
| SCHEMBL30394790 | 0.52 | — | — | |
| SCHEMBL23048268 | 0.50 | — | — | |
| SCHEMBL16327131 | 0.44 | — | — | |
| SCHEMBL30960422 | 0.44 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1153905-B1 | NOVEL CRYSTALLINE ION-ASSOCIATION SUBSTANCE, PROCESS FOR PRODUCING THE SAME, AND POLYMERIZATION INITIATOR | AUTEX INC (JP) | 2004-08-04 | — | — | EP | disclosed |
| EP-1153905-A1 | NOVEL CRYSTALLINE ION-ASSOCIATION SUBSTANCE, PROCESS FOR PRODUCING THE SAME, AND POLYMERIZATION INITIATOR | AUTEX, INC. (JP) | 2001-11-14 | — | — | EP | disclosed |