⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19291189 | 0.79 | CES1 (0.31) | — | |
| SCHEMBL26160876 | 0.77 | — | — | |
| SCHEMBL9500951 | 0.76 | — | — | |
| SCHEMBL9500957 | 0.76 | — | — | |
| SCHEMBL23643977 | 0.76 | GRIK1 (0.33) | — | |
| SCHEMBL18469358 | 0.76 | — | — | |
| SCHEMBL18801174 | 0.74 | — | — | |
| SCHEMBL12824891 | 0.74 | — | — | |
| SCHEMBL24604642 | 0.73 | GRIK1 (0.31) | — | |
| SCHEMBL21990880 | 0.73 | PTGS1 (0.34) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20200148856-A1 | POLYMERIZABLE COMPOSITION FOR OPTICAL MATERIAL, AND MOLDED PRODUCT | MITSUI CHEMICALS, INC. (JP) | 2020-05-14 | — | — | US | disclosed |