Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Butadiene. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ 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 | |
|---|---|---|---|---|
| Butadiene SCHEMBL5086702 | 0.95 | LMNA (0.54) | — | |
| Butadiene SCHEMBL37186 | 0.95 | — | — | |
| Butadiene SCHEMBL28233035 | 0.91 | — | — | |
| Butadiene SCHEMBL28898214 | 0.91 | LMNA (0.50) | — | |
| Butadiene SCHEMBL28174422 | 0.84 | LMNA (0.44) | — | |
| Butadiene SCHEMBL29085600 | 0.84 | LMNA (0.44) | — | |
| Oxalic Acid SCHEMBL17985765 | 0.82 | LMNA (0.50) | — | |
| Butadiene SCHEMBL11197818 | 0.80 | — | — | |
| Acrylic Acid SCHEMBL9139447 | 0.78 | LMNA (0.83) | — | |
| Acrylic Acid SCHEMBL5971713 | 0.78 | LMNA (0.83) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8651366-B2 | Rigid-buckling-resistant-fluted paperboard container with arcuate outer region | DIXIE CONSUMER PRODUCTS LLC (US) | 2014-02-18 | — | — | US | claimed |
| US-20100264202-A1 | RIGID-BUCKLING-RESISTANT-FLUTED PAPERBOARD CONTAINER WITH ARCUATE OUTER REGION | DIXIE CONSUMER PRODUCTS LLC (US) | 2010-10-21 | — | — | US | claimed |