⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11305327 | 0.74 | — | — | |
| SCHEMBL13672806 | 0.74 | — | — | |
| SCHEMBL7803764 | 0.74 | — | — | |
| SCHEMBL12455695 | 0.74 | — | — | |
| SCHEMBL15780050 | 0.74 | — | — | |
| Butadiene SCHEMBL11224770 | 0.72 | ALDH1A1 (0.31) | — | |
| SCHEMBL2631141 | 0.72 | — | — | |
| SCHEMBL18531168 | 0.70 | — | — | |
| SCHEMBL26415015 | 0.70 | — | — | |
| SCHEMBL8229283 | 0.70 | — | — |
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-1612247-B1 | Ink composition for inkjet recording and method of producing lithographic printing plate using the same | FUJIFILM CORP (JP) | 2008-04-02 | — | — | EP | disclosed |