⚠ 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 | |
|---|---|---|---|---|
| Tetramethylammonium Ion SCHEMBL184062 | 0.86 | CHRNB2 (0.40) | — | |
| Tetramethylammonium Ion SCHEMBL11242031 | 0.82 | CHRNB2 (0.36) | — | |
| Tetramethylammonium Ion SCHEMBL7639793 | 0.82 | — | — | |
| SCHEMBL29494689 | 0.80 | — | — | |
| Lithium Ion SCHEMBL29038897 | 0.80 | — | — | |
| SCHEMBL29494691 | 0.80 | — | — | |
| SCHEMBL29494688 | 0.80 | — | — | |
| SCHEMBL48685 | 0.80 | — | — | |
| Zinc Ion SCHEMBL19712287 | 0.80 | — | — | |
| SCHEMBL7107245 | 0.80 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-112940432-B | Polymerizable monomer for dental material, composition, adhesive dental material, and kit | 三井化学株式会社 | 2022-12-30 | — | — | CN | disclosed |
| EP-3278787-B1 | POLYMERIZABLE MONOMER FOR DENTAL MATERIALS, COMPOSITION, ADHESIVE DENTAL MATERIAL, AND KIT | MITSUI CHEMICALS INC (JP) | 2022-03-23 | — | — | EP | disclosed |