⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13963576 | 0.90 | — | — | |
| SCHEMBL16693102 | 0.89 | ACACB (0.32) | — | |
| SCHEMBL12214977 | 0.87 | — | — | |
| SCHEMBL13039863 | 0.83 | — | — | |
| SCHEMBL12362061 | 0.80 | — | — | |
| SCHEMBL13052293 | 0.80 | — | — | |
| SCHEMBL12231726 | 0.80 | — | — | |
| SCHEMBL733992 | 0.78 | ACACB (0.38) | — | |
| SCHEMBL13167974 | 0.78 | SIGMAR1 (0.33) | — | |
| SCHEMBL15304578 | 0.75 | BACE1 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8138119-B2 | Alkoxyalkyl spirocyclic tetramic acids and tetronic acids | BAYER CROPSCIENCE AG (DE) | 2012-03-20 | — | — | US | 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 |
| US-20090215624-A1 | Alkoxyalkyl Spirocyclic Tetramic Acids and Tetronic Acids | BAYER CROPSCIENCE AG (DE) | 2009-08-27 | — | — | US | disclosed |