⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20414326 | 0.77 | — | — | |
| SCHEMBL19355667 | 0.74 | — | — | |
| SCHEMBL27264242 | 0.72 | — | — | |
| SCHEMBL14404198 | 0.69 | — | — | |
| SCHEMBL762235 | 0.67 | — | — | |
| SCHEMBL20247955 | 0.65 | — | — | |
| SCHEMBL23127993 | 0.64 | — | — | |
| SCHEMBL20247867 | 0.62 | — | — | |
| SCHEMBL15256482 | 0.60 | — | — | |
| SCHEMBL7950781 | 0.59 | — | — |
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-2020011246-A1 | BENZENE RING-CONTAINING COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 广州丹康医药生物有限公司 | 2020-01-16 | — | — | WO | disclosed |