⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20656301 | 0.71 | — | — | |
| SCHEMBL5556604 | 0.66 | SLC6A3 (0.39) | — | |
| SCHEMBL2879213 | 0.65 | SLC6A9 (0.38) | — | |
| Hydrochloric Acid SCHEMBL9037991 | 0.64 | SIGMAR1 (0.39) | — | |
| SCHEMBL6027460 | 0.62 | — | — | |
| SCHEMBL216844 | 0.57 | NEK2 (0.38) | — | |
| SCHEMBL17113640 | 0.56 | LIPE (0.32) | — | |
| Hydrochloric Acid SCHEMBL8811823 | 0.56 | NEK2 (0.36) | — | |
| SCHEMBL24509733 | 0.56 | — | — | |
| SCHEMBL24510450 | 0.56 | — | — |
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-2035420-A2 | KV1.5 POTASSIUM CHANNEL INHIBITORS | Wyeth a Corporation of the State of Delaware (US) | 2009-03-18 | — | — | EP | claimed |
| WO-2007149873-A2 | KV1.5 POTASSIUM CHANNEL INHIBITORS | WYETH (US) | 2007-12-27 | — | — | WO | claimed |