⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3505392 | 0.73 | — | — | |
| SCHEMBL3505396 | 0.73 | — | — | |
| Benzoquinone SCHEMBL3208089 | 0.69 | — | — | |
| Benzoquinone SCHEMBL18103 | 0.69 | — | — | |
| Benzoquinone SCHEMBL460082 | 0.69 | ALDH1A1 (1.00) | — | |
| Benzoquinone SCHEMBL10506648 | 0.69 | ALDH1A1 (1.00) | — | |
| Benzoquinone SCHEMBL30679171 | 0.69 | — | — | |
| Benzoquinone SCHEMBL5308519 | 0.69 | ALDH1A1 (1.00) | — | |
| SCHEMBL369085 | 0.67 | — | — | |
| SCHEMBL2519473 | 0.65 | — | — |
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-110526903-B | Bisindolylmaleimide derivative and preparation method and application thereof | 中国海洋大学 | 2021-12-10 | — | — | CN | disclosed |