⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL31243257 | 0.61 | GAA (0.31) | — | |
| SCHEMBL228923 | 0.61 | — | — | |
| Hydrochloric Acid SCHEMBL9805602 | 0.61 | GAA (0.31) | — | |
| SCHEMBL12713880 | 0.61 | — | — | |
| SCHEMBL13417449 | 0.61 | — | — | |
| SCHEMBL29171754 | 0.61 | — | — | |
| Iodide SCHEMBL28706662 | 0.59 | — | — | |
| Iodide SCHEMBL28936713 | 0.59 | — | — | |
| SCHEMBL22779345 | 0.57 | BRD4 (0.39) | — | |
| SCHEMBL21338620 | 0.57 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8648064-B2 | Metal complexes of N-heterocyclic carbenes | THE UNIVERSITY OF AKRON (US) | 2014-02-11 | — | — | US | disclosed |
| US-8519146-B2 | Purine or imidazole and silver complexes; therapeutic, antimicrobial, and antifungal compounds; urinary tract infections | THE UNIVERSITY OF AKRON (US) | 2013-08-27 | — | — | US | disclosed |