⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2287884 | 0.74 | MAPT (0.41) | — | |
| SCHEMBL5572964 | 0.72 | MAPT (0.44) | — | |
| SCHEMBL7712505 | 0.72 | — | — | |
| SCHEMBL332238 | 0.71 | — | — | |
| SCHEMBL231277 | 0.71 | — | — | |
| SCHEMBL27186007 | 0.71 | TRPA1 (0.32) | — | |
| SCHEMBL27269283 | 0.70 | — | — | |
| SCHEMBL9914203 | 0.69 | — | — | |
| SCHEMBL220893 | 0.69 | — | — | |
| SCHEMBL1985836 | 0.69 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104640900-A | Preparation method of thiourethane optical material | KOC SOLUTION CO LTD | 2015-05-20 | — | — | CN | claimed |
| CN-104662012-B | The preparation method of the keeping method of episulfide compound and the thio epoxiess optical material using above-mentioned episulfide compound | 可奥熙搜路司有限公司 | 2017-04-05 | — | — | CN | disclosed |
| CN-104662012-A | Method for storing episulfide compound and method for preparing thioepoxy-based optical material using said episulfide compound | KOC SOLUTION CO LTD | 2015-05-27 | — | — | CN | disclosed |
| CN-104640900-A | Preparation method of thiourethane optical material | KOC SOLUTION CO LTD | 2015-05-20 | — | — | CN | disclosed |
| CN-100343299-C | Thiourethane-based optical material | MITSUI CHEMICALS INC (JP) | 2007-10-17 | — | — | CN | disclosed |
| CN-1578798-A | Thiourethane-based optical material | MITSUI CHEMICALS INC (JP) | 2005-02-09 | — | — | CN | disclosed |
| EP-0055602-A2 | Oxazolidinedione sulfide compounds | ELI LILLY AND COMPANY (US) | 1982-07-07 | — | — | EP | disclosed |