⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2527266 | 0.94 | CHRM2 (0.31) | — | |
| SCHEMBL2446968 | 0.92 | — | — | |
| SCHEMBL2524812 | 0.86 | — | — | |
| SCHEMBL9410107 | 0.85 | NPC1 (0.31) | — | |
| SCHEMBL728898 | 0.80 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL7612862 | 0.78 | CA12 (0.34) | — | |
| SCHEMBL13255427 | 0.76 | ACACB (0.34) | — | |
| SCHEMBL3392102 | 0.76 | ACACB (0.34) | — | |
| SCHEMBL13963601 | 0.76 | ACACB (0.34) | — | |
| SCHEMBL7614542 | 0.76 | ATM (0.33) | — |
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 6 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 |
| EP-1761490-B1 | 3'-ALKOXY SPIROCYCLIC TETRAMIC AND TETRONIC ACIDS | BAYER CROPSCIENCE AG (DE) | 2011-09-07 | — | — | EP | disclosed |
| EP-2246328-A1 | 3'-Alkoxy spirocyclic tetronic acid derivatives | Bayer CropScience AG (DE) | 2010-11-03 | — | — | EP | 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 |