⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL580262 | 0.87 | HTR7 (0.32) | — | |
| SCHEMBL29368757 | 0.87 | HTR7 (0.32) | — | |
| SCHEMBL580568 | 0.80 | HTR7 (0.31) | — | |
| SCHEMBL890762 | 0.78 | — | — | |
| SCHEMBL890862 | 0.75 | — | — | |
| SCHEMBL3091293 | 0.73 | — | — | |
| SCHEMBL29365219 | 0.71 | ALDH1A1 (0.31) | — | |
| SCHEMBL581794 | 0.71 | ALDH1A1 (0.31) | — | |
| SCHEMBL890866 | 0.66 | HTR7 (0.47) | — | |
| SCHEMBL29364906 | 0.66 | HTR7 (0.47) | — |
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 |