⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8665100 | 0.91 | — | — | |
| SCHEMBL6937287 | 0.78 | — | — | |
| Acetic Acid SCHEMBL8161101 | 0.72 | CA1 (0.36) | — | |
| SCHEMBL8668212 | 0.71 | — | — | |
| Butadiene SCHEMBL8664088 | 0.71 | — | — | |
| Bromide SCHEMBL1539750 | 0.71 | — | — | |
| Fluoride Ion SCHEMBL1507297 | 0.71 | — | — | |
| Iodide SCHEMBL1539762 | 0.71 | — | — | |
| Fluoride Ion SCHEMBL7639209 | 0.71 | — | — | |
| SCHEMBL3458803 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0767804-B1 | POLYMERIZATION PROCESS USING DIENE CONTAINING CATALYSTS | DOW CHEMICAL CO (US) | 1998-12-09 | — | — | EP | disclosed |