⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6736948 | 0.77 | — | — | |
| SCHEMBL3808409 | 0.73 | — | — | |
| SCHEMBL1938703 | 0.71 | — | — | |
| SCHEMBL20202350 | 0.69 | — | — | |
| SCHEMBL23988688 | 0.69 | — | — | |
| SCHEMBL13875121 | 0.69 | — | — | |
| SCHEMBL10384574 | 0.69 | — | — | |
| SCHEMBL10144659 | 0.69 | — | — | |
| SCHEMBL17400855 | 0.69 | — | — | |
| SCHEMBL9063201 | 0.67 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1864976-B1 | PROPANE-1,3-DION DERIVATIVE OR SALT THEREOF | ASTELLAS PHARMA INC (JP) | 2012-10-10 | — | — | EP | disclosed |
| US-7960562-B2 | Propane-1,3-dione derivative or salt thereof | ASTELLAS PHARMA INC. (JP) | 2011-06-14 | — | — | US | disclosed |
| US-7960562-B2 | Propane-1,3-dione derivative or salt thereof | ASTELLAS PHARMA INC. (JP) | 2011-06-14 | — | — | US | disclosed |
| US-20090181964-A1 | Propane-1,3-Dione Derivative or Salt Thereof | ASTELLAS PHARMA INC. | 2009-07-16 | — | — | US | disclosed |
| US-20090181964-A1 | Propane-1,3-Dione Derivative or Salt Thereof | ASTELLAS PHARMA INC. | 2009-07-16 | — | — | US | disclosed |
| EP-1864976-A1 | PROPANE-1,3-DION DERIVATIVE OR SALT THEREOF | Astellas Pharma Inc. (JP) | 2007-12-12 | — | — | EP | disclosed |
| WO-2004031119-A1 | METHOD FOR THE PRODUCTION OF FATTY ACID ESTERS OF MONOVALENT ALCOHOLS BY ALCOHOLYSIS USING SPECIAL BASIC CATALYSTS | PETER SIEGFRIED (DE) | 2004-04-15 | — | — | WO | disclosed |