⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2150182 | 0.86 | CYP3A4 (0.34) | — | |
| SCHEMBL2150530 | 0.83 | CYP3A4 (0.35) | — | |
| SCHEMBL2149789 | 0.83 | TSHR (0.30) | — | |
| SCHEMBL2149767 | 0.83 | SMPD1 (0.32) | — | |
| SCHEMBL8601168 | 0.83 | SMPD1 (0.33) | — | |
| SCHEMBL28388544 | 0.80 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL2149852 | 0.80 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL28384866 | 0.79 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL27993760 | 0.76 | SMPD1 (0.31) | — | |
| SCHEMBL29291760 | 0.76 | TSHR (0.39) | — |
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-2341091-B1 | POLYMERIZABLE COMPOSITION FOR OPTICAL MATERIAL, OPTICAL MATERIAL, AND METHOD FOR PREPARING THE OPTICAL MATERIAL | MITSUI CHEMICALS INC (JP) | 2013-12-04 | — | — | EP | disclosed |
| US-8434866-B2 | Polymerizable composition for optical material, optical material, and method for preparing the optical material | MITSUI CHEMICALS, INC. (JP) | 2013-05-07 | — | — | US | disclosed |
| EP-2341091-A1 | POLYMERIZABLE COMPOUND FOR OPTICAL MATERIAL, OPTICAL MATERIAL, AND OPTICAL MATERIAL MANUFACTURING METHOD | Mitsui Chemicals, Inc. (JP) | 2011-07-06 | — | — | EP | disclosed |
| US-20100075154-A1 | POLYMERIZABLE COMPOSITION FOR OPTICAL MATERIAL, OPTICAL MATERIAL, AND METHOD FOR PREPARING THE OPTICAL MATERIAL | MITSUI CHEMICALS, INC. (JP) | 2010-03-25 | — | — | US | disclosed |