⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4189761 | 0.98 | ALDH1A1 (0.39) | — | |
| SCHEMBL635021 | 0.79 | ALDH1A1 (0.56) | — | |
| SCHEMBL10092122 | 0.77 | NLRP3 (0.31) | — | |
| SCHEMBL7929183 | 0.76 | NLRP3 (0.35) | — | |
| SCHEMBL15659344 | 0.74 | ALDH1A1 (0.43) | — | |
| SCHEMBL7921732 | 0.73 | NLRP3 (0.30) | — | |
| SCHEMBL5496086 | 0.71 | NLRP3 (0.35) | — | |
| SCHEMBL13434034 | 0.71 | ALDH1A1 (0.36) | — | |
| SCHEMBL21662453 | 0.70 | NLRP3 (0.34) | — | |
| SCHEMBL7929111 | 0.70 | NLRP3 (0.37) | — |
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 11 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-1319966-B1 | COMPOSITION FOR OPTICAL MATERIAL | MITSUBISHI GAS CHEMICAL CO (JP) | 2010-05-26 | — | — | EP | disclosed |
| US-7301705-B2 | Alicyclic compound for optical material | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2007-11-27 | — | — | US | disclosed |
| US-7183441-B2 | Method for producing vicinal dithiol | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2007-02-27 | — | — | US | disclosed |
| US-7009031-B2 | Composition for optical material | MITSUBISHI GAS CHEMICAL CO., INC. (JP) | 2006-03-07 | — | — | US | disclosed |
| US-20050187413-A1 | Method for producing vicinal dithiol | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2005-08-25 | — | — | US | disclosed |
| EP-1564207-A1 | Method for producing vicinal dithiol | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2005-08-17 | — | — | EP | disclosed |
| US-20040158031-A1 | Alicyclic compound for optical material | MITSUBISHI GAS CHEMICAL CO., INC. (JP) | 2004-08-12 | — | — | US | disclosed |
| EP-1398317-A1 | ALICYCLIC COMPOUND FOR OPTICAL MATERIAL | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2004-03-17 | — | — | EP | 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 |