⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28587762 | 0.81 | ESR2 (0.37) | — | |
| SCHEMBL28568388 | 0.79 | ESR2 (0.37) | — | |
| SCHEMBL28567842 | 0.71 | — | — | |
| SCHEMBL14764331 | 0.65 | XDH (0.43) | — | |
| SCHEMBL21236344 | 0.62 | ESR2 (0.40) | — | |
| SCHEMBL1293556 | 0.62 | ESR2 (0.46) | — | |
| SCHEMBL28576949 | 0.61 | HIF1A (0.40) | — | |
| SCHEMBL14764058 | 0.61 | XDH (0.41) | — | |
| SCHEMBL19991494 | 0.61 | XDH (0.38) | — | |
| SCHEMBL2427133 | 0.61 | ESR2 (0.38) | — |
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-108863850-B | Biaryl compound and preparation method and application thereof | 复旦大学 | 2021-05-18 | — | — | CN | disclosed |