⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4734992 | 0.91 | MMP2 (0.31) | — | |
| SCHEMBL4805989 | 0.90 | ALDH1A1 (0.32) | — | |
| SCHEMBL4737594 | 0.89 | ALDH1A1 (0.38) | — | |
| SCHEMBL4735344 | 0.89 | ADORA2B (0.30) | — | |
| SCHEMBL4735172 | 0.86 | DRD2 (0.32) | — | |
| SCHEMBL4736890 | 0.83 | — | — | |
| SCHEMBL4733429 | 0.83 | CYP1A1 (0.33) | — | |
| SCHEMBL4906825 | 0.82 | CNR1 (0.35) | — | |
| SCHEMBL4737143 | 0.81 | TDP1 (0.38) | — | |
| SCHEMBL5066407 | 0.81 | MMP2 (0.34) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008076046-A1 | NOVEL 2-AMINO-5, 5-DIARYL-IMIDAZOL-4-ONES | ASTRAZENECA AB (SE) | 2008-06-26 | — | — | WO | disclosed |