⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL36197 | 0.87 | — | — | |
| SCHEMBL27737502 | 0.87 | — | — | |
| SCHEMBL27203258 | 0.76 | — | — | |
| SCHEMBL23088521 | 0.75 | — | — | |
| SCHEMBL1339337 | 0.75 | — | — | |
| SCHEMBL28879416 | 0.75 | — | — | |
| SCHEMBL21980761 | 0.75 | — | — | |
| SCHEMBL28738601 | 0.75 | — | — | |
| SCHEMBL28428852 | 0.75 | — | — | |
| SCHEMBL27413972 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013008279-A1 | PROCESS FOR PREPARING CATALYST USED IN PRODUCTION OF ACROLEIN AND/OR ACRYLIC ACID AND PROCESS FOR PREPARING ACROLEIN AND/OR ACRYLIC ACID BY DEHYDRATION REACTION OF GLYCERIN | NIPPON KAYAKU KABUSHIKI KAISHA (JP) | 2013-01-17 | — | — | WO | disclosed |