⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2017820 | 0.74 | — | — | |
| SCHEMBL278658 | 0.74 | — | — | |
| SCHEMBL2017821 | 0.74 | — | — | |
| SCHEMBL30860723 | 0.68 | — | — | |
| SCHEMBL29243216 | 0.68 | — | — | |
| SCHEMBL13889971 | 0.59 | — | — | |
| SCHEMBL2609929 | 0.50 | — | — | |
| SCHEMBL380603 | 0.50 | — | — | |
| SCHEMBL1101296 | 0.50 | — | — | |
| SCHEMBL18959182 | 0.47 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20080267867-A1 | Metal Complexes of N-Heterocyclic Carbenes as Radiopharmaceuticals and Antibiotics | UNIVERSITY OF AKRON | 2008-10-30 | — | — | US | disclosed |