⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4024291 | 0.92 | CHEK2 (0.31) | — | |
| SCHEMBL4024368 | 0.72 | HPGD (0.45) | — | |
| SCHEMBL4022857 | 0.71 | THRB (0.39) | — | |
| SCHEMBL4026769 | 0.71 | MAPT (0.36) | — | |
| SCHEMBL4025859 | 0.69 | MKNK1 (0.44) | — | |
| SCHEMBL4021504 | 0.68 | HPGD (0.42) | — | |
| SCHEMBL4030744 | 0.68 | KDM4E (0.47) | — | |
| SCHEMBL4024297 | 0.67 | HPGD (0.45) | — | |
| SCHEMBL4029711 | 0.66 | PIN1 (0.35) | — | |
| SCHEMBL27622304 | 0.66 | PIN1 (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 |
|---|---|---|---|---|---|---|---|
| EP-1537075-B1 | DIARYLUREA DERIVATIVES AND THEIR USE AS CHLORIDE CHANNEL BLOCKERS | NEUROSEARCH AS (DK) | 2009-07-01 | — | — | EP | disclosed |
| US-20060160856-A1 | Diarylurea derivatives and their use as chloride channel blockers | NEUROSEARCH A/S (DK) | 2006-07-20 | — | — | US | disclosed |