⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4881556 | 0.82 | MAPT (0.42) | — | |
| SCHEMBL15862439 | 0.79 | CETP (0.35) | — | |
| SCHEMBL4882264 | 0.75 | MAPT (0.39) | — | |
| SCHEMBL4882033 | 0.72 | MLYCD (0.42) | — | |
| SCHEMBL4880731 | 0.72 | MAPT (0.36) | — | |
| SCHEMBL4881627 | 0.70 | MAPT (0.35) | — | |
| SCHEMBL4884124 | 0.69 | DGAT1 (0.31) | — | |
| SCHEMBL4886038 | 0.67 | KMT2A (0.40) | — | |
| SCHEMBL15739737 | 0.67 | CETP (0.44) | — | |
| SCHEMBL4877161 | 0.67 | CHEK1 (0.31) | — |
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-1819701-A1 | CYCLIC IMINOCARBAMATES AND USE THEREOF | Bayer HealthCare AG (DE) | 2007-08-22 | — | — | EP | disclosed |
| WO-2006058630-A1 | CYCLIC IMINOCARBAMATES AND USE THEREOF | BAYER HEALTHCARE AG (DE) | 2006-06-08 | — | — | WO | disclosed |