⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10079773 | 0.83 | — | — | |
| SCHEMBL10079771 | 0.82 | — | — | |
| SCHEMBL15944466 | 0.79 | ALDH1A1 (0.31) | — | |
| SCHEMBL14234238 | 0.78 | — | — | |
| SCHEMBL14234241 | 0.77 | — | — | |
| SCHEMBL12134245 | 0.75 | — | — | |
| SCHEMBL14234237 | 0.73 | — | — | |
| SCHEMBL15945521 | 0.73 | — | — | |
| SCHEMBL10079781 | 0.73 | — | — | |
| SCHEMBL15944276 | 0.72 | ALDH1A1 (0.34) | — |
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 8 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 |
| US-8084649-B2 | Herbicides | SYNGENTA CROP PROTECTION, INC. (US) | 2011-12-27 | — | — | US | disclosed |
| WO-2010081689-A2 | CYCLIC DIONES AND THEIR USE AS INSECTICIDES, ACARICIDES AND/OR FUNGICIDES | BAYER CROPSCIENCE AG (DE) | 2010-07-22 | — | — | WO | disclosed |
| US-20100173774-A1 | NOVEL HERBICIDES | SYNGENTA CROP PROTECTION, INC. (US) | 2010-07-08 | — | — | US | disclosed |
| WO-2008110308-A2 | NOVEL HERBICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2008-09-18 | — | — | WO | disclosed |