⚠ 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 SCHEMBL10763042 | 0.80 | TRPA1 (0.36) | — | |
| Butadiene SCHEMBL11480793 | 0.79 | TRPA1 (0.44) | — | |
| Butadiene SCHEMBL461643 | 0.79 | — | — | |
| Butadiene SCHEMBL10457929 | 0.79 | TRPA1 (0.44) | — | |
| Butadiene SCHEMBL250 | 0.79 | — | — | |
| Butadiene SCHEMBL11854764 | 0.79 | TRPA1 (0.44) | — | |
| Butadiene SCHEMBL678351 | 0.75 | — | — | |
| Butadiene SCHEMBL1408241 | 0.75 | — | — | |
| Butadiene SCHEMBL29041000 | 0.75 | — | — | |
| Butadiene SCHEMBL11300883 | 0.75 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4097271-A | LEACHING, PRECIPITATING CUPROUS CHLORIDE WITH BUTADIENE, DECOMPOSING, OXIDIZING, HYDROLYZING TO GET CUPRIC OXYCHLORIDE | COMINCO LTD. (CA) | 1978-06-27 | — | — | US | disclosed |