⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL765378 | 0.86 | TDP1 (0.30) | — | |
| SCHEMBL760570 | 0.82 | TDP1 (0.31) | — | |
| SCHEMBL231678 | 0.78 | ALDH1A1 (0.31) | — | |
| SCHEMBL327012 | 0.73 | TDP1 (0.30) | — | |
| SCHEMBL231698 | 0.68 | ALDH1A1 (0.33) | — | |
| SCHEMBL232437 | 0.68 | — | — | |
| SCHEMBL760569 | 0.67 | MAOA (0.32) | — | |
| SCHEMBL232213 | 0.67 | ALDH1A1 (0.37) | — | |
| SCHEMBL229097 | 0.67 | AR (0.34) | — | |
| SCHEMBL232691 | 0.66 | ALDH1A1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2587922-A1 | IMPROVED INSECTICIDAL COMPOSITIONS COMPRISING CYCLIC CARBONYLAMIDINES | Bayer Intellectual Property GmbH (DE) | 2013-05-08 | — | — | EP | disclosed |
| WO-2012000902-A1 | IMPROVED INSECTICIDAL COMPOSITIONS COMPRISING CYCLIC CARBONYLAMIDINES | BAYER CROPSCIENCE AG (DE) | 2012-01-05 | — | — | WO | disclosed |