⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1548693 | 0.90 | — | — | |
| SCHEMBL1402582 | 0.90 | — | — | |
| SCHEMBL27802746 | 0.88 | — | — | |
| SCHEMBL1402672 | 0.88 | — | — | |
| SCHEMBL1402640 | 0.86 | — | — | |
| SCHEMBL21409537 | 0.86 | ALDH1A1 (0.30) | — | |
| SCHEMBL12630264 | 0.80 | ALDH1A1 (0.33) | — | |
| SCHEMBL28027261 | 0.78 | — | — | |
| SCHEMBL1402577 | 0.78 | — | — | |
| SCHEMBL27802758 | 0.78 | ALDH1A1 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019187176-A1 | METHOD FOR SETTING POLYMERIZATION CONDITIONS AND METHOD FOR PRODUCING OPTICAL MATERIAL | 三井化学株式会社 | 2019-10-03 | — | — | WO | disclosed |
| CN-101910275-B | Additive for polymerizable composition, polymerizable composition containing the same, and use of the polymerizable composition | MITSUI CHEMICALS INC | 2013-06-05 | — | — | CN | 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 |