⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28916754 | 0.82 | — | — | |
| SCHEMBL9360188 | 0.65 | — | — | |
| SCHEMBL9986444 | 0.61 | — | — | |
| SCHEMBL28916774 | 0.57 | — | — | |
| SCHEMBL13367175 | 0.54 | — | — | |
| SCHEMBL78830 | 0.54 | — | — | |
| SCHEMBL11358647 | 0.52 | — | — | |
| SCHEMBL8513928 | 0.52 | KDM4E (0.33) | — | |
| SCHEMBL16248006 | 0.52 | KDM4E (0.33) | — | |
| Phosphine SCHEMBL28056004 | 0.52 | — | — |
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-110087609-B | Water-in-oil emulsion containing baicalin, xanthine base, vitamin B3, and polyvalent metal cation salt | 莱雅公司 | 2022-11-15 | — | — | CN | disclosed |