⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18966852 | 0.67 | — | — | |
| SCHEMBL15963722 | 0.67 | — | — | |
| SCHEMBL24013720 | 0.62 | — | — | |
| SCHEMBL5051720 | 0.56 | — | — | |
| SCHEMBL24910012 | 0.56 | MEN1 (0.31) | — | |
| SCHEMBL219313 | 0.50 | — | — | |
| SCHEMBL3161609 | 0.50 | — | — | |
| SCHEMBL690409 | 0.50 | — | — | |
| SCHEMBL423198 | 0.50 | — | — | |
| SCHEMBL11607518 | 0.42 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120302607-A1 | C4-SUBSTITUTED ALPHA-KETO OXAZOLES | THE SCRIPPS RESEARCH INSTITUTE (US) | 2012-11-29 | — | — | US | disclosed |
| US-20110184026-A1 | C4-SUBSTITUTED ALPHA-KETO OXAZOLES | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2011-07-28 | — | — | US | disclosed |
| WO-2009154785-A2 | C4-SUBSTITUTED ALPHA-KETO OXAZOLES | THE SCRIPPS RESEARCH INSTITUTE (US) | 2009-12-23 | — | — | WO | disclosed |