⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9675535 | 0.85 | — | — | |
| SCHEMBL17106593 | 0.83 | — | — | |
| SCHEMBL22556979 | 0.81 | — | — | |
| SCHEMBL28237028 | 0.72 | — | — | |
| SCHEMBL9005336 | 0.72 | — | — | |
| SCHEMBL28251361 | 0.69 | — | — | |
| SCHEMBL12665744 | 0.66 | — | — | |
| SCHEMBL20103869 | 0.65 | ADH1B (0.41) | — | |
| SCHEMBL16814052 | 0.64 | ATM (0.30) | — | |
| SCHEMBL9611092 | 0.64 | ATM (0.48) | — |
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 |