⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL634071 | 1.00 | — | — | |
| SCHEMBL11767515 | 0.71 | CYP1A2 (0.45) | — | |
| SCHEMBL28579476 | 0.71 | ACHE (0.56) | — | |
| Biphenyl SCHEMBL9403462 | 0.69 | ALDH1A1 (0.84) | — | |
| SCHEMBL1899544 | 0.69 | — | — | |
| Nitrobenzene SCHEMBL1330714 | 0.69 | — | — | |
| Nitrobenzene SCHEMBL9669095 | 0.69 | — | — | |
| Nitrobenzene SCHEMBL15525745 | 0.69 | ALDH1A1 (1.00) | — | |
| Nitrobenzene SCHEMBL20411 | 0.69 | — | — | |
| SCHEMBL10824676 | 0.69 | — | — |
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-113019449-A | Catalytic preparation method of aromatic azoxy compound | 上海应用技术大学 | 2021-06-25 | — | — | CN | disclosed |