⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8516393 | 0.62 | — | — | |
| SCHEMBL28324778 | 0.58 | ALDH1A1 (0.41) | — | |
| SCHEMBL26091 | 0.57 | — | — | |
| Benzoquinone SCHEMBL7915446 | 0.51 | — | — | |
| Benzoquinone SCHEMBL10379701 | 0.51 | ALDH1A1 (0.89) | — | |
| Benzoquinone SCHEMBL28750797 | 0.51 | ALDH1A1 (0.89) | — | |
| Benzoquinone SCHEMBL28111438 | 0.51 | ALDH1A1 (0.89) | — | |
| SCHEMBL4613888 | 0.49 | AURKA (0.31) | — | |
| Benzoquinone SCHEMBL28796738 | 0.49 | ALDH1A1 (0.80) | — | |
| Benzoquinone SCHEMBL11031539 | 0.49 | ALDH1A1 (0.80) | — |
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-118324761-A | USP inhibitor, preparation method and application thereof | 北京华森英诺生物科技有限公司 | 2024-07-12 | — | — | CN | disclosed |