⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18613729 | 0.84 | — | — | |
| SCHEMBL27772928 | 0.77 | — | — | |
| SCHEMBL13187445 | 0.74 | — | — | |
| SCHEMBL27772753 | 0.73 | — | — | |
| SCHEMBL889061 | 0.73 | — | — | |
| SCHEMBL2074108 | 0.69 | — | — | |
| SCHEMBL8225075 | 0.68 | HRH1 (0.31) | — | |
| SCHEMBL14993142 | 0.68 | BRS3 (0.31) | — | |
| SCHEMBL31457424 | 0.68 | GLB1 (0.42) | — | |
| SCHEMBL5183476 | 0.67 | TSHR (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101652350-B | Method for producing 2-halogenoimidazole compound | SHIKOKU CHEM | 2012-05-09 | — | — | CN | disclosed |
| CN-101652350-A | Make the method for 2-halo imidazolium compounds | SHIKOKU CHEM JP | 2010-02-17 | — | — | CN | disclosed |