⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12680309 | 0.77 | MAPK1 (0.42) | — | |
| SCHEMBL11749841 | 0.77 | MAPK1 (0.42) | — | |
| SCHEMBL5496757 | 0.74 | — | — | |
| SCHEMBL18751670 | 0.72 | CES2 (0.43) | — | |
| SCHEMBL5541116 | 0.72 | MAPK1 (0.39) | — | |
| SCHEMBL19295797 | 0.72 | — | — | |
| SCHEMBL12392863 | 0.70 | CES2 (0.38) | — | |
| SCHEMBL13647509 | 0.70 | MAPK1 (0.47) | — | |
| SCHEMBL5937290 | 0.70 | MAPK1 (0.47) | — | |
| SCHEMBL13381003 | 0.70 | MAPK1 (0.38) | — |
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-20070027067-A1 | Transition-state Inhibitors of Pin1, alpha-Ketoamide-containing peptidomimetics, and synthesis thereof | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2007-02-01 | — | — | US | disclosed |
| WO-2006124494-A1 | TRANSITION-STATE INHIBITORS OF PIN1, α-KETOAMIDE-CONTAINING PEPTIDOMIMETICS, AND SYNTHESES THEREOF | VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) | 2006-11-23 | — | — | WO | disclosed |