⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2150579 | 0.87 | ALOX15 (0.30) | — | |
| SCHEMBL2149658 | 0.82 | TSHR (0.35) | — | |
| SCHEMBL5850885 | 0.78 | — | — | |
| SCHEMBL2149782 | 0.77 | ITPR3 (0.33) | — | |
| SCHEMBL2149532 | 0.77 | CYP3A4 (0.35) | — | |
| SCHEMBL2150534 | 0.76 | — | — | |
| SCHEMBL5850882 | 0.74 | — | — | |
| SCHEMBL29001759 | 0.73 | ABCB11 (0.30) | — | |
| SCHEMBL28385557 | 0.72 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL2149854 | 0.71 | TSHR (0.35) | — |
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 |