⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2525036 | 0.93 | CHRM2 (0.32) | — | |
| SCHEMBL3396641 | 0.84 | CHRM2 (0.31) | — | |
| SCHEMBL3394216 | 0.81 | MAPK1 (0.36) | — | |
| SCHEMBL2527268 | 0.77 | CHRM2 (0.33) | — | |
| SCHEMBL3737454 | 0.73 | BACE1 (0.31) | — | |
| SCHEMBL13069972 | 0.72 | — | — | |
| SCHEMBL3756833 | 0.72 | POLB (0.30) | — | |
| SCHEMBL3737457 | 0.70 | — | — | |
| SCHEMBL3397819 | 0.68 | SLC6A4 (0.33) | — | |
| SCHEMBL13070118 | 0.67 | TSHR (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-8410289-B2 | Spirocyclic 3'-alkoxytetramic acids and-tetronic acids | BAYER CROPSCIENCE AG (DE) | 2013-04-02 | — | — | US | disclosed |
| US-20090029858-A1 | Spirocyclic 3'-Alkoxytetramic Acids and -Tetronic Acids | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2009-01-29 | — | — | US | disclosed |
| EP-1761490-A1 | 3'-ALKOXY SPIROCYCLIC TETRAMIC AND TETRONIC ACIDS | Bayer CropScience Aktiengesellschaft (DE) | 2007-03-14 | — | — | EP | disclosed |
| WO-2006000355-A1 | 3'-ALKOXY SPIROCYCLIC TETRAMIC AND TETRONIC ACIDS | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2006-01-05 | — | — | WO | disclosed |