⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2768920 | 0.72 | — | — | |
| SCHEMBL21496186 | 0.70 | — | — | |
| SCHEMBL2772783 | 0.68 | — | — | |
| SCHEMBL2770240 | 0.67 | — | — | |
| SCHEMBL23544292 | 0.66 | — | — | |
| SCHEMBL2768848 | 0.66 | — | — | |
| SCHEMBL2768899 | 0.62 | — | — | |
| SCHEMBL2769595 | 0.60 | — | — | |
| SCHEMBL21496031 | 0.60 | — | — | |
| SCHEMBL2771241 | 0.59 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2123695-B1 | METAL THIETANE COMPOUND, POLYMERIZABLE COMPOSITION COMPRISING THE COMPOUND, RESIN, AND USE OF THE RESIN | MITSUI CHEMICALS INC (JP) | 2021-06-23 | — | — | EP | disclosed |
| US-8426551-B2 | Metal thietane compound, polymerizable composition containing the compound, resin and use of the resin | MITSUI CHEMICALS, INC. (JP) | 2013-04-23 | — | — | US | disclosed |
| US-20130018169-A1 | Metal Thietane Compound, Polymerizable Composition Containing the Compound, Resin and Use of the Resin | MITSUI CHEMICALS, INC. (JP) | 2013-01-17 | — | — | US | disclosed |
| US-8293864-B2 | Metal thietane compound, polymerizable composition containing the compound, resin and use of the resin | MITSUI CHEMICALS, INC. (JP) | 2012-10-23 | — | — | US | disclosed |
| US-20100240862-A1 | METAL THIETANE COMPOUND, POLYMERIZABLE COMPOSITION CONTAINING THE COMPOUND, RESIN AND USE OF THE RESIN | MITSUI CHEMICALS, INC. (JP) | 2010-09-23 | — | — | US | disclosed |
| EP-2123695-A1 | METAL THIETANE COMPOUND, POLYMERIZABLE COMPOSITION COMPRISING THE COMPOUND, RESIN, AND USE OF THE RESIN | Mitsui Chemicals, Inc. (JP) | 2009-11-25 | — | — | EP | disclosed |