⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6141831 | 0.84 | FABP4 (0.35) | — | |
| SCHEMBL27603526 | 0.82 | — | — | |
| SCHEMBL8505056 | 0.82 | ACHE (0.39) | — | |
| SCHEMBL12615990 | 0.80 | ALDH1A1 (0.38) | — | |
| SCHEMBL8324615 | 0.78 | PABPC1 (0.38) | — | |
| SCHEMBL8321287 | 0.78 | ALDH1A1 (0.31) | — | |
| SCHEMBL12892206 | 0.76 | ALDH1A1 (0.57) | — | |
| SCHEMBL7768911 | 0.76 | KCNN4 (0.35) | — | |
| SCHEMBL13300574 | 0.73 | ABCG2 (0.52) | — | |
| SCHEMBL1462482 | 0.72 | MEN1 (0.48) | — |
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-2121569-A2 | NOVEL CINNAMIC AMIDE DERIVATIVES USEFUL AS ION CHANNEL MODULATORS | NEUROSEARCH A/S (DK) | 2009-11-25 | — | — | EP | disclosed |
| WO-2008074755-A2 | NOVEL CINNAMIC AMIDE DERIVATIVES USEFUL AS ION CHANNEL MODULATORS | NEUROSEARCH A/S (DK) | 2008-06-26 | — | — | WO | disclosed |