⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL855149 | 0.87 | — | — | |
| SCHEMBL926116 | 0.86 | PDK2 (0.32) | — | |
| SCHEMBL2697876 | 0.83 | SDHB (0.32) | — | |
| SCHEMBL855170 | 0.80 | PDE3B (0.31) | — | |
| SCHEMBL854568 | 0.80 | KDM4E (0.30) | — | |
| SCHEMBL2698372 | 0.80 | KDM4E (0.30) | — | |
| SCHEMBL854624 | 0.80 | PTGS2 (0.31) | — | |
| SCHEMBL854297 | 0.77 | LOXL2 (0.34) | — | |
| SCHEMBL855130 | 0.76 | SDHB (0.40) | — | |
| SCHEMBL925878 | 0.76 | PDK2 (0.39) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2432762-B1 | INSECTICIDAL ARYLPYRROLINES | BAYER CROPSCIENCE AG (DE) | 2015-02-25 | — | — | EP | disclosed |
| US-8410141-B2 | Insecticidal arylpyrrolines | BAYER CROPSCIENCE AG (DE) | 2013-04-02 | — | — | US | disclosed |
| US-20120108635-A1 | Insecticidal Arylpyrrolines | BAYER CROPSCIENCE AG (DE) | 2012-05-03 | — | — | US | disclosed |
| EP-2432762-A1 | INSECTICIDAL ARYLPYRROLINES | Bayer CropScience AG (DE) | 2012-03-28 | — | — | EP | disclosed |
| WO-2010133336-A1 | INSECTICIDAL ARYLPYRROLINES | BAYER CROPSCIENCE AG (DE) | 2010-11-25 | — | — | WO | disclosed |