⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1133420 | 0.78 | — | — | |
| Water SCHEMBL8185638 | 0.75 | PLA2G1B (0.34) | — | |
| Bromide SCHEMBL28513239 | 0.75 | PLA2G1B (0.34) | — | |
| Iodide SCHEMBL28522449 | 0.75 | PLA2G1B (0.34) | — | |
| Hydrochloric Acid SCHEMBL2243173 | 0.75 | L3MBTL1 (0.37) | — | |
| SCHEMBL14803851 | 0.75 | KDM4E (0.41) | — | |
| SCHEMBL28460005 | 0.73 | LCK (0.31) | — | |
| SCHEMBL2426752 | 0.73 | LCK (0.31) | — | |
| SCHEMBL10586575 | 0.71 | ALDH1A1 (0.37) | — | |
| SCHEMBL1547958 | 0.71 | TDP1 (0.52) | — |
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-2285836-B1 | PHOTOINITIATOR MIXTURES | BASF SE (DE) | 2012-01-18 | — | — | EP | disclosed |