⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27801011 | 0.80 | — | — | |
| SCHEMBL2825203 | 0.76 | USP2 (0.37) | — | |
| SCHEMBL2829871 | 0.73 | CYP1A2 (0.31) | — | |
| SCHEMBL28268984 | 0.69 | — | — | |
| SCHEMBL28128467 | 0.68 | — | — | |
| SCHEMBL28758092 | 0.68 | — | — | |
| SCHEMBL27780498 | 0.67 | KCNQ3 (0.32) | — | |
| SCHEMBL27801964 | 0.67 | KCNQ3 (0.32) | — | |
| SCHEMBL4698579 | 0.67 | CHRM2 (0.36) | — | |
| SCHEMBL27664587 | 0.67 | DPP4 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101959882-A | Imidazole carbonyl compound | DAIICHI SANKYO CO LTD | 2011-01-26 | — | — | CN | disclosed |