⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1618059 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL4265149 | 0.91 | — | — | |
| SCHEMBL1619015 | 0.85 | — | — | |
| SCHEMBL1618470 | 0.78 | S1PR1 (0.40) | — | |
| SCHEMBL3126033 | 0.75 | MEN1 (0.34) | — | |
| SCHEMBL22034009 | 0.75 | MEN1 (0.41) | — | |
| Hydrochloric Acid SCHEMBL4265154 | 0.74 | MEN1 (0.33) | — | |
| SCHEMBL1618052 | 0.72 | KCNH2 (0.48) | — | |
| SCHEMBL23924551 | 0.72 | HRH4 (0.33) | — | |
| SCHEMBL4726752 | 0.72 | ALDH1A1 (0.35) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7928225-B2 | Oxabispidine compounds for the treatment of cardiac arrhythmias | ASTRAZENECA AB (SE) | 2011-04-19 | — | — | US | disclosed |
| US-20090054422-A1 | New Oxabispidine Compounds For The Treatment Of Cardiac Arrhythmias | ASTRAZENECA AB (SE) | 2009-02-26 | — | — | US | disclosed |