⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25911 | 0.87 | — | — | |
| SCHEMBL20577358 | 0.83 | — | — | |
| SCHEMBL28804632 | 0.83 | — | — | |
| Chloromethane SCHEMBL27469553 | 0.80 | — | — | |
| Trimethylammonium SCHEMBL27713570 | 0.78 | — | — | |
| Dimethylamine SCHEMBL28248654 | 0.78 | — | — | |
| SCHEMBL28108290 | 0.76 | — | — | |
| SCHEMBL2256073 | 0.69 | — | — | |
| SCHEMBL687625 | 0.69 | CA2 (0.41) | — | |
| SCHEMBL2397059 | 0.69 | CA2 (0.41) | — |
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-105647274-B | Compound, ink, print cartridge and ink jet recording method | 佳能株式会社 | 2019-04-26 | — | — | CN | disclosed |