⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12134161 | 0.79 | — | — | |
| SCHEMBL12134169 | 0.78 | — | — | |
| SCHEMBL12134163 | 0.74 | — | — | |
| SCHEMBL12134168 | 0.73 | MAOA (0.30) | — | |
| SCHEMBL1224651 | 0.71 | MAOA (0.33) | — | |
| SCHEMBL12885585 | 0.71 | MAOA (0.33) | — | |
| SCHEMBL10199845 | 0.71 | NR1I2 (0.31) | — | |
| SCHEMBL10207880 | 0.71 | — | — | |
| SCHEMBL10244065 | 0.69 | MAOA (0.33) | — | |
| SCHEMBL12134136 | 0.68 | MAOA (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8487118-B2 | Cyclic diones and their use as insecticides, acaricides and/or fungicides | BAYER CROPSCIENCE AG (DE) | 2013-07-16 | — | — | US | disclosed |
| US-8487118-B2 | Cyclic diones and their use as insecticides, acaricides and/or fungicides | BAYER CROPSCIENCE AG (DE) | 2013-07-16 | — | — | US | disclosed |
| US-20120046464-A1 | Cyclic Diones and Their Use as Insecticides, Acaricides and/or Fungicides | BAYER CROPSCIENCE AG (DE) | 2012-02-23 | — | — | US | disclosed |
| US-20120046464-A1 | Cyclic Diones and Their Use as Insecticides, Acaricides and/or Fungicides | BAYER CROPSCIENCE AG (DE) | 2012-02-23 | — | — | US | disclosed |