⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28057932 | 0.72 | — | — | |
| SCHEMBL28156509 | 0.69 | — | — | |
| SCHEMBL28300112 | 0.67 | — | — | |
| SCHEMBL28865929 | 0.57 | MGAM (0.53) | — | |
| SCHEMBL1268900 | 0.57 | — | — | |
| SCHEMBL707523 | 0.57 | — | — | |
| Butanone SCHEMBL28629198 | 0.57 | — | — | |
| SCHEMBL8334461 | 0.57 | — | — | |
| SCHEMBL9579652 | 0.57 | MGAM (0.53) | — | |
| SCHEMBL1535065 | 0.57 | — | — |
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-2021214955-A1 | EGGSHELL TYPE PLATINUM-LOADED ALUMINA CATALYST, METHOD FOR PRODUCING SAME, AND USE OF SAME | 千代田化工建設株式会社 (JP) | 2021-10-28 | — | — | WO | disclosed |