⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL981128 | 0.74 | — | — | |
| SCHEMBL1803845 | 0.70 | — | — | |
| 4-Hydroxy-6-Methylpyran-2-One SCHEMBL320025 | 0.70 | — | — | |
| SCHEMBL12464950 | 0.70 | — | — | |
| SCHEMBL1804389 | 0.70 | — | — | |
| SCHEMBL4439220 | 0.70 | — | — | |
| SCHEMBL1263805 | 0.67 | CA1 (0.54) | — | |
| 4-Hydroxy-6-Methylpyran-2-One SCHEMBL22656780 | 0.65 | CYP3A4 (0.87) | — | |
| SCHEMBL26387044 | 0.65 | CA9 (0.52) | — | |
| SCHEMBL6472513 | 0.65 | KMT2A (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6384045-B1 | TREATMENT OF ALZHEIMER'S DISEASE AND ANTICANCER AGENTS | KANSAS STATE UNIVERSITY RESEARCH FOUNDATION | 2002-05-07 | — | — | US | disclosed |
| EP-0418020-A2 | Cephalosporinderivatives, process for their preparation and pharmaceutical compositions | BEECHAM GROUP PLC (GB) | 1991-03-20 | — | — | EP | disclosed |