⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2901458 | 0.74 | — | — | |
| SCHEMBL13282777 | 0.70 | — | — | |
| SCHEMBL28389593 | 0.70 | — | — | |
| SCHEMBL15746420 | 0.70 | — | — | |
| SCHEMBL8445879 | 0.70 | — | — | |
| SCHEMBL5043795 | 0.67 | ALDH1A1 (0.34) | — | |
| SCHEMBL16804007 | 0.65 | CDK2 (0.40) | — | |
| SCHEMBL11932194 | 0.65 | — | — | |
| SCHEMBL8317599 | 0.64 | — | — | |
| Ammonia Solution, Strong SCHEMBL29102882 | 0.64 | — | — |
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-116600803-A | Macrocyclic urea orexin receptor agonists | 默沙东有限责任公司 | 2023-08-15 | — | — | CN | disclosed |