⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL331488 | 0.76 | — | — | |
| SCHEMBL31286269 | 0.74 | — | — | |
| SCHEMBL331425 | 0.68 | — | — | |
| SCHEMBL332758 | 0.64 | — | — | |
| SCHEMBL28342062 | 0.61 | — | — | |
| SCHEMBL23152018 | 0.60 | — | — | |
| SCHEMBL28420785 | 0.58 | — | — | |
| SCHEMBL5326196 | 0.58 | — | — | |
| SCHEMBL14607147 | 0.57 | — | — | |
| SCHEMBL2150301 | 0.56 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9290656-B2 | Polymerizable composition for polythiourethane optical material | MITSUI CHEMICALS, INC. (JP) | 2016-03-22 | — | — | US | disclosed |
| US-20130267673-A1 | COMPOSITION FOR OPTICAL MATERIAL | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2013-10-10 | — | — | US | disclosed |
| US-8304507-B2 | Polymerizable composition for polythiourethane optical material, polythiourethane optical material obtained from the polymerizable composition, and polymerization catalyst for polythiourethane optical material | MITSUI CHEMICALS, INC. (JP) | 2012-11-06 | — | — | US | disclosed |
| US-20110190466-A1 | POLYMERIZABLE COMPOSITION FOR POLYTHIOURETHANE OPTICAL MATERIAL | MITSUI CHEMICALS, INC. (JP) | 2011-08-04 | — | — | US | disclosed |
| US-20110112269-A1 | POLYMERIZABLE COMPOSITION FOR POLYTHIOURETHANE OPTICAL MATERIAL, POLYTHIOURETHANE OPTICAL MATERIAL OBTAINED FROM THE POLYMERIZABLE COMPOSITION, AND POLYMERIZATION CATALYST FOR POLYTHIOURETHANE OPTICAL MATERIAL | MITSUI CHEMICALS, INC. (JP) | 2011-05-12 | — | — | US | disclosed |