⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28348249 | 0.70 | — | — | |
| SCHEMBL28912558 | 0.67 | — | — | |
| Carbon Monoxide SCHEMBL29362455 | 0.67 | — | — | |
| SCHEMBL28916816 | 0.67 | — | — | |
| SCHEMBL30826564 | 0.64 | — | — | |
| P-Xylene SCHEMBL9834761 | 0.54 | — | — | |
| SCHEMBL19750859 | 0.49 | TSHR (0.35) | — | |
| P-Xylene SCHEMBL27538150 | 0.47 | ALDH1A1 (0.67) | — | |
| P-Xylene SCHEMBL14721484 | 0.47 | ALDH1A1 (0.67) | — | |
| SCHEMBL28852321 | 0.47 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113130867-A | Preparation method of lithium ion battery cathode material and material thereof | 东莞理工学院 | 2021-07-16 | — | — | CN | claimed |
| CN-113130867-A | Preparation method of lithium ion battery cathode material and material thereof | 东莞理工学院 | 2021-07-16 | — | — | CN | disclosed |