⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL453700 | 1.00 | — | — | |
| Methane SCHEMBL3848823 | 0.87 | — | — | |
| SCHEMBL28835338 | 0.87 | — | — | |
| SCHEMBL28321443 | 0.87 | — | — | |
| SCHEMBL28545600 | 0.87 | — | — | |
| SCHEMBL453443 | 0.87 | — | — | |
| SCHEMBL6515346 | 0.87 | — | — | |
| SCHEMBL1604640 | 0.87 | — | — | |
| SCHEMBL1604642 | 0.87 | — | — | |
| SCHEMBL27844439 | 0.87 | — | — |
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-112404790-B | Composite powder particle doped with active agent and application method thereof | 湘潭大学 | 2022-01-28 | — | — | CN | disclosed |
| CN-112404790-A | Composite powder particle doped with active agent and application method thereof | 湘潭大学 | 2021-02-26 | — | — | CN | disclosed |