⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29267535 | 0.79 | TRPV1 (0.40) | — | |
| SCHEMBL29267532 | 0.79 | TRPV4 (0.41) | — | |
| Boric Acid SCHEMBL27923833 | 0.78 | — | — | |
| SCHEMBL29092844 | 0.77 | — | — | |
| SCHEMBL28667653 | 0.76 | ESR2 (0.41) | — | |
| SCHEMBL28469794 | 0.75 | HDAC1 (0.32) | — | |
| SCHEMBL28441270 | 0.72 | LMNA (0.42) | — | |
| SCHEMBL28463108 | 0.72 | CA1 (0.38) | — | |
| SCHEMBL29141449 | 0.72 | CA1 (0.48) | — | |
| SCHEMBL5424020 | 0.72 | KMT2A (0.42) | — |
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-116444494-A | Compound for targeted degradation of BUB1B and BUB1 protein, and preparation method and application thereof | 浙江大学 | 2023-07-18 | — | — | CN | disclosed |