⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13194525 | 0.74 | — | — | |
| SCHEMBL17733565 | 0.74 | — | — | |
| SCHEMBL21611299 | 0.73 | — | — | |
| SCHEMBL8203034 | 0.72 | — | — | |
| SCHEMBL17733571 | 0.72 | AURKA (0.32) | — | |
| SCHEMBL12568846 | 0.69 | — | — | |
| SCHEMBL16922190 | 0.69 | — | — | |
| SCHEMBL18436177 | 0.69 | — | — | |
| SCHEMBL16359270 | 0.68 | TSHR (0.36) | — | |
| SCHEMBL13806815 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018081167-A1 | COMPOUNDS AND USES THEREOF | YUMANITY THERAPEUTICS (US) | 2018-05-03 | — | — | WO | disclosed |