⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9105413 | 1.00 | — | — | |
| SCHEMBL9274814 | 1.00 | — | — | |
| SCHEMBL9100927 | 0.86 | — | — | |
| SCHEMBL9106263 | 0.86 | — | — | |
| SCHEMBL9100913 | 0.86 | — | — | |
| SCHEMBL9103237 | 0.83 | GLB1 (0.35) | — | |
| SCHEMBL9103224 | 0.83 | GLB1 (0.35) | — | |
| SCHEMBL9279332 | 0.83 | GLB1 (0.35) | — | |
| SCHEMBL9104203 | 0.81 | PIK3CD (0.32) | — | |
| SCHEMBL9104209 | 0.81 | PIK3CD (0.32) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130143858-A1 | COMPOUNDS AND THEIR USE AS IKACH BLOCKERS | ASTRAZENECA AB (SE) | 2013-06-06 | — | — | US | disclosed |
| US-8361998-B2 | Compounds and their use as IKACh blockers | ASTRAZENECA AB | 2013-01-29 | — | — | US | disclosed |
| WO-2012074469-A1 | NEW IKACH BLOCKERS | ASTRAZENECA AB (SE) | 2012-06-07 | — | — | WO | disclosed |
| US-20120142659-A1 | COMPOUNDS AND THEIR USE AS IKACH BLOCKERS | ASTRAZENECA AB (SE) | 2012-06-07 | — | — | US | disclosed |