⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8521435 | 0.78 | — | — | |
| SCHEMBL330433 | 0.74 | — | — | |
| SCHEMBL6846519 | 0.74 | — | — | |
| SCHEMBL17336178 | 0.67 | — | — | |
| SCHEMBL20594202 | 0.67 | — | — | |
| SCHEMBL21357678 | 0.67 | — | — | |
| SCHEMBL28635432 | 0.67 | — | — | |
| SCHEMBL15441446 | 0.65 | — | — | |
| SCHEMBL20594220 | 0.65 | — | — | |
| SCHEMBL459366 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010032365-A1 | POLYMERIZABLE COMPOUND FOR OPTICAL MATERIAL, OPTICAL MATERIAL, AND OPTICAL MATERIAL MANUFACTURING METHOD | 三井化学株式会社 (JP) | 2010-03-25 | — | — | WO | disclosed |