⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13589444 | 1.00 | — | — | |
| SCHEMBL10093698 | 0.82 | — | — | |
| SCHEMBL24592700 | 0.80 | — | — | |
| SCHEMBL10126198 | 0.80 | — | — | |
| SCHEMBL26316548 | 0.75 | TSHR (0.37) | — | |
| SCHEMBL22064363 | 0.68 | — | — | |
| SCHEMBL13108791 | 0.67 | — | — | |
| SCHEMBL10231948 | 0.64 | TSHR (0.32) | — | |
| SCHEMBL24592693 | 0.62 | — | — | |
| SCHEMBL18725078 | 0.62 | TSHR (0.30) | — |
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-1974944-A1 | Thermal transfer ink sheet, ink cartridge, coating composition for dye layer of thermal transfer ink sheet, and thermal transfer recording method | FUJIFILM Corporation (JP) | 2008-10-01 | — | — | EP | disclosed |