⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27772926 | 0.84 | GPR84 (0.47) | — | |
| SCHEMBL27772771 | 0.77 | — | — | |
| SCHEMBL28286935 | 0.74 | MPO (0.44) | — | |
| SCHEMBL18613729 | 0.74 | — | — | |
| SCHEMBL12685100 | 0.74 | — | — | |
| SCHEMBL26677299 | 0.73 | — | — | |
| SCHEMBL27794101 | 0.73 | — | — | |
| SCHEMBL20438536 | 0.73 | MPO (0.38) | — | |
| SCHEMBL21690701 | 0.67 | BRS3 (0.40) | — | |
| SCHEMBL20536455 | 0.67 | PDK2 (0.38) | — |
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 |