⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL866932 | 0.81 | — | — | |
| SCHEMBL274320 | 0.79 | ALDH1A1 (0.47) | — | |
| SCHEMBL27284806 | 0.79 | ALDH1A1 (0.52) | — | |
| SCHEMBL9400227 | 0.79 | TDP1 (0.55) | — | |
| SCHEMBL27256301 | 0.78 | ALDH1A1 (0.56) | — | |
| SCHEMBL7558001 | 0.77 | ALDH1A1 (0.50) | — | |
| SCHEMBL5847686 | 0.77 | — | — | |
| SCHEMBL7559359 | 0.77 | ALDH1A1 (0.50) | — | |
| SCHEMBL7559516 | 0.77 | ALDH1A1 (0.50) | — | |
| SCHEMBL4946539 | 0.76 | ALDH1A1 (0.44) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1874407-B1 | SUBSTANCES AND PHARMACEUTICAL COMPOSITIONS FOR THE INHIBITION OF GLYOXALASES AND THEIR USE AS ANTI-FUNGAL AGENTS | BIOMAC PRIVATINSTITUT FÜR MEDIZINISCHE UND ZAHNMEDIZINISCHE FORSCHUNG ENTWICKLUNG UND DIAGNOSTIK GMB (DE) | 2015-09-09 | — | — | EP | disclosed |
| EP-1877141-B1 | SUBSTANCES AND PHARMACEUTICAL COMPOSITIONS FOR THE INHIBITION OF GLYOXALASES AND THEIR USE AGAINST BACTERIA | BIOMAC PRIVATINSTITUT FUER MEDIZINISCHE UND ZAHNMEDIZINISCHE FORSCHUNG ENTWICKLUNG UND DIAGNOSTIK GM (DE) | 2013-06-12 | — | — | EP | disclosed |
| US-20100204161-A1 | Substances and Pharmaceutical Compositions for the Inhibition of Glyoxalases and Their Use Against Bacteria | BIOMAC PRIVATINSTITUT FUR MEDIZINISHE UND ZAHMEDIZ FORSCHUNG, ENTWICKLUNG UND DIAGNOSTIK GMBH (DE) | 2010-08-12 | — | — | US | disclosed |
| US-20080300303-A1 | Substances and Pharmaceutical Compositions for the Inhibition of Glyoxalases and Their Use As Anti-Fungal Agents | BIOMAC PRIVATINSTITUT FUER MEDIZINISCHE UND ZAHNMEDIZINISCHE FORSCHUNG, ENTWICKLUNG UND DIAGNOSTIK GMBH (DE) | 2008-12-04 | — | — | US | disclosed |