⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4863349 | 1.00 | — | — | |
| SCHEMBL31458650 | 0.78 | — | — | |
| SCHEMBL14294251 | 0.61 | — | — | |
| SCHEMBL4824317 | 0.61 | — | — | |
| SCHEMBL4824013 | 0.61 | — | — | |
| SCHEMBL11741748 | 0.61 | — | — | |
| SCHEMBL5336345 | 0.61 | — | — | |
| SCHEMBL4824318 | 0.61 | — | — | |
| SCHEMBL5336350 | 0.61 | — | — | |
| SCHEMBL4824006 | 0.61 | — | — |
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-7332512-B2 | Halogenated nitrobutadienes for controlling animal pests | BAYER CROPSCIENCE AG (DE) | 2008-02-19 | — | — | US | disclosed |
| US-20050080272-A1 | Halogenated nitrobutadienes for controlling animal pests | BAYER CROPSCIENCE AG (DE) | 2005-04-14 | — | — | US | disclosed |
| EP-1444221-A1 | HALOGENATED NITROBUTADIENES FOR CONTROLLING ANIMAL PESTS | Bayer CropScience AG (DE) | 2004-08-11 | — | — | EP | disclosed |
| WO-2003040129-A1 | HALOGENATED NITROBUTADIENES FOR CONTROLLING ANIMAL PESTS | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2003-05-15 | — | — | WO | disclosed |