⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9100052 | 1.00 | — | — | |
| SCHEMBL9104300 | 0.90 | TACR2 (0.41) | — | |
| SCHEMBL9104308 | 0.90 | TACR2 (0.41) | — | |
| SCHEMBL31478933 | 0.90 | TACR2 (0.41) | — | |
| SCHEMBL9103849 | 0.88 | — | — | |
| SCHEMBL9103842 | 0.88 | — | — | |
| SCHEMBL9279761 | 0.87 | MAPT (0.43) | — | |
| SCHEMBL9102650 | 0.83 | CES2 (0.38) | — | |
| SCHEMBL9102660 | 0.83 | CES2 (0.38) | — | |
| SCHEMBL9102725 | 0.82 | CHRM2 (0.41) | — |
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 |