⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL890641 | 0.82 | — | — | |
| SCHEMBL890825 | 0.71 | — | — | |
| SCHEMBL890862 | 0.71 | — | — | |
| SCHEMBL891172 | 0.70 | — | — | |
| SCHEMBL15300613 | 0.69 | MAOA (0.36) | — | |
| SCHEMBL890951 | 0.65 | — | — | |
| SCHEMBL890762 | 0.64 | — | — | |
| SCHEMBL891069 | 0.63 | EPHX1 (0.30) | — | |
| SCHEMBL890865 | 0.62 | MAOA (0.33) | — | |
| SCHEMBL890841 | 0.62 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0742244-B1 | Durable polysulfide composition for optical material | MITSUI CHEMICALS INC (JP) | 2004-08-11 | — | — | EP | disclosed |
| EP-0742244-A2 | Durable polysulfide composition for optical material | MITSUI TOATSU CHEMICALS, INC. (JP) | 1996-11-13 | — | — | EP | disclosed |