⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1542365 | 0.80 | P4HB (0.34) | — | |
| SCHEMBL1542325 | 0.78 | MC4R (0.30) | — | |
| SCHEMBL1542460 | 0.77 | KCNA3 (0.30) | — | |
| SCHEMBL2176658 | 0.77 | USP2 (0.30) | — | |
| SCHEMBL1542327 | 0.76 | — | — | |
| SCHEMBL1542536 | 0.75 | ADORA2A (0.31) | — | |
| SCHEMBL1542264 | 0.74 | MEN1 (0.37) | — | |
| SCHEMBL1542572 | 0.74 | MEN1 (0.33) | — | |
| SCHEMBL1542528 | 0.73 | LMNA (0.41) | — | |
| SCHEMBL13573974 | 0.71 | PTGER4 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2303850-A1 | NOVEL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF | Bionomics Limited (AU) | 2011-04-06 | — | — | EP | disclosed |
| WO-2009149508-A1 | NOVEL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF | BIONOMICS LIMITED (AU) | 2009-12-17 | — | — | WO | disclosed |