⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6142271 | 0.79 | — | — | |
| SCHEMBL1024367 | 0.73 | — | — | |
| SCHEMBL1024563 | 0.69 | — | — | |
| SCHEMBL6142295 | 0.68 | — | — | |
| SCHEMBL6141948 | 0.64 | — | — | |
| SCHEMBL1024208 | 0.62 | — | — | |
| SCHEMBL1025518 | 0.61 | — | — | |
| SCHEMBL1025703 | 0.61 | — | — | |
| SCHEMBL1023920 | 0.59 | — | — | |
| SCHEMBL1024968 | 0.59 | — | — |
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-1398317-B1 | ALICYCLIC COMPOUND FOR OPTICAL MATERIAL | MITSUBISHI GAS CHEMICAL CO (JP) | 2011-01-12 | — | — | EP | disclosed |
| EP-1333030-B1 | METHOD OF STORING EPISULFIDE COMPOUND | MITSUBISHI GAS CHEMICAL CO (JP) | 2004-10-13 | — | — | EP | disclosed |
| EP-1333030-A1 | METHOD OF STORING EPISULFIDE COMPOUND | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2003-08-06 | — | — | EP | disclosed |