⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29768627 | 0.78 | — | — | |
| SCHEMBL28485690 | 0.73 | — | — | |
| SCHEMBL7853272 | 0.67 | — | — | |
| SCHEMBL7855060 | 0.65 | — | — | |
| SCHEMBL52275 | 0.55 | — | — | |
| SCHEMBL4475934 | 0.55 | LMNA (0.62) | — | |
| SCHEMBL8951079 | 0.54 | PDPK1 (0.48) | — | |
| SCHEMBL1222250 | 0.54 | ALDH1A1 (0.46) | — | |
| SCHEMBL813450 | 0.54 | PARP1 (0.53) | — | |
| SCHEMBL2194475 | 0.54 | POLB (0.50) | — |
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-114585390-A | Aminobenzazepine compounds, immunoconjugates and uses thereof | 博尔特生物治疗药物有限公司 | 2022-06-03 | — | — | CN | disclosed |