⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL81942 | 0.87 | — | — | |
| Phosphine SCHEMBL19857299 | 0.75 | — | — | |
| Ammonia Solution, Strong SCHEMBL5055348 | 0.75 | — | — | |
| SCHEMBL4232891 | 0.58 | — | — | |
| SCHEMBL2194862 | 0.58 | — | — | |
| SCHEMBL25218393 | 0.50 | — | — | |
| SCHEMBL7648158 | 0.50 | — | — | |
| SCHEMBL11133508 | 0.50 | — | — | |
| SCHEMBL294 | 0.50 | — | — | |
| SCHEMBL10597693 | 0.50 | — | — |
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-4471067-A | Dimeric carbonylation of 1,3-alkadiene | CELANESE CORPORATION (US) | 1984-09-11 | — | — | US | disclosed |
| US-4416823-A | Dimeric carbonylation of 1,3-alkadiene | CELANESE CORPORATION (US) | 1983-11-22 | — | — | US | disclosed |