⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8777759 | 0.94 | — | — | |
| SCHEMBL6064756 | 0.89 | — | — | |
| SCHEMBL28343153 | 0.87 | NAAA (0.31) | — | |
| SCHEMBL1123598 | 0.82 | — | — | |
| SCHEMBL14118771 | 0.80 | — | — | |
| SCHEMBL1123449 | 0.80 | — | — | |
| SCHEMBL230924 | 0.79 | — | — | |
| SCHEMBL28243050 | 0.79 | — | — | |
| SCHEMBL6901021 | 0.78 | — | — | |
| SCHEMBL3826381 | 0.77 | — | — |
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-0329386-B1 | S-alkyl thiocarbamate base resin, plastic lens comprising the resin, and process for making the lens | MITSUI TOATSU CHEMICALS (JP) | 1994-08-03 | — | — | EP | disclosed |
| US-4946923-A | S-alkyl thiocarbamate base resin, plastic lens comprising the resin, and process for making the lens | MITSUI TOATSU CHEMICALS, INC. (JP) | 1990-08-07 | — | — | US | disclosed |