⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4617891 | 0.83 | — | — | |
| SCHEMBL5034231 | 0.77 | THRB (0.40) | — | |
| SCHEMBL17396992 | 0.77 | THRB (0.40) | — | |
| SCHEMBL6623652 | 0.72 | — | — | |
| SCHEMBL23278146 | 0.71 | — | — | |
| SCHEMBL29884751 | 0.71 | — | — | |
| SCHEMBL18456736 | 0.71 | — | — | |
| SCHEMBL4077702 | 0.71 | — | — | |
| SCHEMBL18636782 | 0.69 | — | — | |
| SCHEMBL3015698 | 0.67 | FOLH1 (0.30) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8586694-B2 | Polymerization catalyst for polythiourethane-based optical material, polymerizable composition containing the catalyst, optical material obtained from the composition, and method for preparing the optical material | MITSUI CHEMICALS, INC. (JP) | 2013-11-19 | — | — | US | disclosed |
| US-20100016517-A1 | POLYMERIZATION CATALYST FOR POLYTHIOURETHANE-BASED OPTICAL MATERIAL, POLYMERIZABLE COMPOSITION CONTAINING THE CATALYST, OPTICAL MATERIAL OBTAINED FROM THE COMPOSITION, AND METHOD FOR PREPARING THE OPTICAL MATERIAL | MITSUI CHEMICALS, INC (JP) | 2010-01-21 | — | — | US | disclosed |