⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1402637 | 0.88 | — | — | |
| SCHEMBL3254519 | 0.84 | — | — | |
| SCHEMBL3249659 | 0.78 | CYP3A4 (0.31) | — | |
| SCHEMBL3247739 | 0.78 | — | — | |
| SCHEMBL3252257 | 0.77 | — | — | |
| SCHEMBL3249455 | 0.77 | — | — | |
| SCHEMBL5179239 | 0.71 | — | — | |
| SCHEMBL5180426 | 0.70 | — | — | |
| SCHEMBL5069141 | 0.67 | — | — | |
| SCHEMBL5180353 | 0.63 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1319966-B1 | COMPOSITION FOR OPTICAL MATERIAL | MITSUBISHI GAS CHEMICAL CO (JP) | 2010-05-26 | — | — | EP | disclosed |
| US-7009031-B2 | Composition for optical material | MITSUBISHI GAS CHEMICAL CO., INC. (JP) | 2006-03-07 | — | — | US | disclosed |
| US-20040024165-A1 | Composition for optical material | MITSUBISHI GAS CHEMICAL CO., INC. (JP) | 2004-02-05 | — | — | US | disclosed |
| EP-1319966-A1 | COMPOSITION FOR OPTICAL MATERIAL | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2003-06-18 | — | — | EP | disclosed |