⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19763310 | 0.79 | HIF1A (0.36) | — | |
| SCHEMBL336591 | 0.79 | HIF1A (0.36) | — | |
| SCHEMBL15929702 | 0.74 | — | — | |
| SCHEMBL19102235 | 0.68 | — | — | |
| SCHEMBL15929427 | 0.67 | — | — | |
| SCHEMBL25161936 | 0.64 | — | — | |
| SCHEMBL19099007 | 0.63 | — | — | |
| SCHEMBL15929424 | 0.62 | GRIN2D (0.33) | — | |
| SCHEMBL490935 | 0.62 | — | — | |
| SCHEMBL22236840 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2729467-B1 | CRYPTATE COMPOUNDS AND METHODS FOR THEIR PREPARATION | AUSTRALIAN NUCLEAR SCIENCE TEC (AU) | 2016-10-12 | — | — | EP | disclosed |