⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4641284 | 1.00 | — | — | |
| SCHEMBL3464604 | 1.00 | — | — | |
| SCHEMBL16038541 | 1.00 | — | — | |
| SCHEMBL30148870 | 0.84 | — | — | |
| SCHEMBL5135807 | 0.74 | — | — | |
| SCHEMBL1584181 | 0.74 | — | — | |
| SCHEMBL14630769 | 0.74 | — | — | |
| SCHEMBL1583972 | 0.74 | — | — | |
| SCHEMBL1583863 | 0.74 | — | — | |
| SCHEMBL2685140 | 0.74 | — | — |
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-107987075-B | Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases | 艾伯维公司 | 2020-12-01 | — | — | CN | disclosed |