⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13070122 | 0.85 | — | — | |
| SCHEMBL13973900 | 0.84 | — | — | |
| SCHEMBL731855 | 0.83 | ACACB (0.34) | — | |
| SCHEMBL736695 | 0.83 | — | — | |
| SCHEMBL12214973 | 0.81 | — | — | |
| SCHEMBL14465215 | 0.81 | — | — | |
| SCHEMBL13052291 | 0.77 | HDAC3 (0.32) | — | |
| SCHEMBL12362052 | 0.76 | — | — | |
| SCHEMBL13039851 | 0.76 | — | — | |
| SCHEMBL12231722 | 0.76 | — | — |
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-1943218-B1 | ALKOXYALKYL SPIROCYCLIC TETRAMIC ACIDS AND TETRONIC ACIDS | BAYER IP GMBH (DE) | 2015-05-06 | — | — | EP | disclosed |
| US-8138119-B2 | Alkoxyalkyl spirocyclic tetramic acids and tetronic acids | BAYER CROPSCIENCE AG (DE) | 2012-03-20 | — | — | US | disclosed |
| US-20090215624-A1 | Alkoxyalkyl Spirocyclic Tetramic Acids and Tetronic Acids | BAYER CROPSCIENCE AG (DE) | 2009-08-27 | — | — | US | disclosed |
| WO-2007048545-A2 | ALKOXYALKYL SPIROCYCLIC TETRAMIC ACIDS AND TETRONIC ACIDS | BAYER CROPSCIENCE AG (DE) | 2007-05-03 | — | — | WO | disclosed |