⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28575992 | 0.80 | — | — | |
| SCHEMBL28723673 | 0.79 | KDM1A (0.32) | — | |
| SCHEMBL734440 | 0.77 | KDM1A (0.38) | — | |
| SCHEMBL3728489 | 0.75 | — | — | |
| SCHEMBL365626 | 0.75 | CHRNA7 (0.32) | — | |
| SCHEMBL5458200 | 0.75 | — | — | |
| SCHEMBL3992251 | 0.75 | KDM1A (0.36) | — | |
| SCHEMBL1863590 | 0.73 | — | — | |
| SCHEMBL1153469 | 0.73 | KDM1A (0.44) | — | |
| SCHEMBL23203046 | 0.72 | CHRNA7 (0.31) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2902389-B1 | NOVEL EPISULFIDE COMPOUND AND OPTICAL MATERIAL COMPOSITION | MITSUBISHI GAS CHEMICAL CO (JP) | 2016-06-01 | — | — | EP | disclosed |
| US-9273185-B2 | Episulfide compound and optical material composition | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2016-03-01 | — | — | US | disclosed |
| US-20150259477-A1 | NOVEL EPISULFIDE COMPOUND AND OPTICAL MATERIAL COMPOSITION | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2015-09-17 | — | — | US | disclosed |
| EP-2902389-A1 | NOVEL EPISULFIDE COMPOUND AND OPTICAL MATERIAL COMPOSITION | Mitsubishi Gas Chemical Company, Inc. (JP) | 2015-08-05 | — | — | EP | disclosed |
| EP-0751161-B1 | Sulfur-containing urethane-based resin composition, optical element and lens comprising this resin | MITSUI CHEMICALS INC (JP) | 2003-01-02 | — | — | EP | disclosed |