⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22212708 | 0.78 | — | — | |
| SCHEMBL20411805 | 0.75 | TAS1R3 (0.31) | — | |
| SCHEMBL26078255 | 0.70 | — | — | |
| SCHEMBL14823244 | 0.69 | TAS1R3 (0.33) | — | |
| SCHEMBL20411807 | 0.69 | — | — | |
| SCHEMBL12162800 | 0.67 | — | — | |
| SCHEMBL16307965 | 0.67 | TAS1R3 (0.32) | — | |
| SCHEMBL16473074 | 0.67 | TAS1R3 (0.32) | — | |
| SCHEMBL20034065 | 0.66 | TAS1R3 (0.30) | — | |
| SCHEMBL13648307 | 0.65 | TAS1R3 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1829680-B1 | Ink composition, inkjet recording method, printed material, and process for producing lithographic printing plate | FUJIFILM CORP (JP) | 2019-01-02 | — | — | EP | disclosed |