⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28283660 | 0.87 | KEAP1 (0.33) | — | |
| SCHEMBL28039316 | 0.81 | — | — | |
| SCHEMBL26645226 | 0.81 | — | — | |
| SCHEMBL2553693 | 0.79 | MAPK1 (0.38) | — | |
| SCHEMBL111657 | 0.79 | MAPK1 (0.38) | — | |
| SCHEMBL1907659 | 0.79 | MAPK1 (0.38) | — | |
| SCHEMBL1907658 | 0.79 | MAPK1 (0.38) | — | |
| Methyl Sorbate SCHEMBL166359 | 0.77 | — | — | |
| SCHEMBL8534568 | 0.77 | — | — | |
| Methyl Sorbate SCHEMBL821207 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6100339-A | COMPRISING A POLYMER WHICH CONTAINS A CYCLIC MONOMER UNIT AND WHICH CONTAINS A REACTIVE GROUP, AND A RESIN COMPOSITION COMPRISING THE SAME; DURABILITY, CHEMICAL RESISTANCE | ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) | 2000-08-08 | — | — | US | disclosed |