⚠ 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 SCHEMBL3235255 | 0.86 | — | — | |
| SCHEMBL17771931 | 0.85 | — | — | |
| SCHEMBL42308 | 0.85 | — | — | |
| Tetramethylammonium Ion SCHEMBL28979479 | 0.82 | CA1 (0.55) | — | |
| Ammonia Solution, Strong SCHEMBL11747356 | 0.80 | — | — | |
| SCHEMBL4195834 | 0.80 | — | — | |
| SCHEMBL21065697 | 0.80 | — | — | |
| SCHEMBL19712285 | 0.80 | — | — | |
| SCHEMBL11835564 | 0.80 | — | — | |
| SCHEMBL43526 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107427414-A | Polymerizable monomer for dental material, composition, adhesive dental material, and kit | 三井化学株式会社 | 2017-12-01 | — | — | CN | disclosed |