⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL820514 | 0.75 | — | — | |
| SCHEMBL819113 | 0.70 | TSHR (0.32) | — | |
| SCHEMBL4595280 | 0.64 | — | — | |
| SCHEMBL28715198 | 0.61 | — | — | |
| SCHEMBL20364827 | 0.60 | — | — | |
| SCHEMBL819341 | 0.60 | — | — | |
| SCHEMBL7037006 | 0.56 | — | — | |
| SCHEMBL17935651 | 0.56 | TSHR (0.36) | — | |
| SCHEMBL819815 | 0.55 | TSHR (0.32) | — | |
| SCHEMBL21485018 | 0.54 | — | — |
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-106459112-B | N-heterocyclic carbene complexes of metalloiminoalkylenes and metallooxoalkylenes and use thereof | 斯图加特大学 | 2020-06-12 | — | — | CN | disclosed |