⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3749037 | 0.74 | — | — | |
| SCHEMBL1402644 | 0.72 | — | — | |
| SCHEMBL3752001 | 0.67 | — | — | |
| SCHEMBL1780468 | 0.63 | — | — | |
| SCHEMBL17385592 | 0.60 | — | — | |
| SCHEMBL1781040 | 0.56 | — | — | |
| SCHEMBL2810994 | 0.55 | — | — | |
| SCHEMBL15259778 | 0.55 | — | — | |
| SCHEMBL1402903 | 0.55 | — | — | |
| SCHEMBL1577446 | 0.55 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2253626-B1 | THIETANE COMPOUND, POLYMERIZABLE COMPOSITION CONTAINING THE SAME, RESIN, METHOD FOR PRODUCING THE RESIN, AND USE OF THE POLYMERIZABLE COMPOSITION AND THE RESIN | MITSUI CHEMICALS INC (JP) | 2013-05-29 | — | — | EP | disclosed |
| US-8362280-B2 | Thietane compound, polymerizable composition containing the same, resin, method for producing the resin, and use of the polymerizable composition and the resin | MITSUI CHEMICALS, INC. (JP) | 2013-01-29 | — | — | US | disclosed |
| US-20110118412-A1 | THIETANE COMPOUND, POLYMERIZABLE COMPOSITION CONTAINING THE SAME, RESIN, METHOD FOR PRODUCING THE RESIN, AND USE OF THE POLYMERIZABLE COMPOSITION AND THE RESIN | MITSUI CHEMICALS, INC. (JP) | 2011-05-19 | — | — | US | disclosed |
| EP-2253626-A1 | THIETANE COMPOUND, POLYMERIZABLE COMPOSITION CONTAINING THE SAME, RESIN, METHOD FOR PRODUCING THE RESIN, AND USE OF THE RESIN | Mitsui Chemicals, Inc. (JP) | 2010-11-24 | — | — | EP | disclosed |