⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL845209 | 0.90 | ALDH1A1 (0.30) | — | |
| SCHEMBL3752642 | 0.82 | — | — | |
| SCHEMBL3756833 | 0.80 | POLB (0.30) | — | |
| SCHEMBL844572 | 0.77 | KDM4E (0.30) | — | |
| SCHEMBL21357807 | 0.76 | — | — | |
| SCHEMBL845358 | 0.75 | MEN1 (0.30) | — | |
| SCHEMBL1956421 | 0.72 | — | — | |
| SCHEMBL14405347 | 0.72 | — | — | |
| SCHEMBL3755662 | 0.71 | HPGD (0.39) | — | |
| SCHEMBL3762924 | 0.71 | MEN1 (0.32) | — |
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-2432785-B1 | HERBICIDAL SPIROHETEROCYCLIC TETRONIC ACID DERIVATIVES | BAYER CROPSCIENCE AG (DE) | 2014-10-15 | — | — | EP | disclosed |
| US-8592610-B2 | Spiroheterocyclic tetronic acid derivatives | BAYER CROPSCIENCE AG (DE) | 2013-11-26 | — | — | US | disclosed |
| US-20130012384-A1 | Spiroheterocyclic Tetronic Acid Derivatives | BAYER CROPSCIENCE AG (DE) | 2013-01-10 | — | — | US | disclosed |
| US-8318956-B2 | Spiroheterocyclic tetronic acid derivatives | BAYER CROPSCIENCE AG (DE) | 2012-11-27 | — | — | US | disclosed |
| EP-2432785-A1 | HERBICIDAL SPIROHETEROCYCLIC TETRONIC ACID DERIVATIVES | Bayer CropScience AG (DE) | 2012-03-28 | — | — | EP | disclosed |
| WO-2010133337-A1 | HERBICIDAL SPIROHETEROCYCLIC TETRONIC ACID DERIVATIVES | BAYER CROPSCIENCE AG (DE) | 2010-11-25 | — | — | WO | disclosed |
| US-20100298145-A1 | Spiroheterocyclic Tetronic Acid Derivatives | BAYER CROPSCIENCE AG (DE) | 2010-11-25 | — | — | US | disclosed |