⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28343117 | 0.82 | — | — | |
| SCHEMBL832836 | 0.82 | — | — | |
| SCHEMBL7172476 | 0.82 | — | — | |
| SCHEMBL250476 | 0.82 | — | — | |
| SCHEMBL23199787 | 0.67 | — | — | |
| Bromide SCHEMBL16041352 | 0.67 | — | — | |
| SCHEMBL16924544 | 0.67 | — | — | |
| SCHEMBL23199808 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL9236545 | 0.67 | — | — | |
| SCHEMBL9487243 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-109663589-A | Mesoporous millimeter ball ozone catalyst of cerium titanium oxide and the preparation method and application thereof | 南京大学 | 2019-04-23 | — | — | CN | disclosed |