⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL486549 | 0.82 | — | — | |
| SCHEMBL13963187 | 0.82 | — | — | |
| SCHEMBL5553290 | 0.81 | — | — | |
| SCHEMBL8461435 | 0.77 | — | — | |
| SCHEMBL13381323 | 0.75 | ALDH1A1 (0.36) | — | |
| SCHEMBL6505290 | 0.75 | — | — | |
| SCHEMBL12889540 | 0.75 | ALDH1A1 (0.36) | — | |
| SCHEMBL25368925 | 0.73 | — | — | |
| Propanol SCHEMBL1011878 | 0.73 | FYN (0.39) | — | |
| SCHEMBL13381321 | 0.73 | ALDH1A1 (0.34) | — |
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-106008322-A | BCL-2-selectively apoptosis-inducing agents for the treatment of cancer and immune diseases | ABBVIE 公司 | 2016-10-12 | — | — | CN | disclosed |