⚠ 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 SCHEMBL8666272 | 0.83 | — | — | |
| Dimethylamine SCHEMBL8670152 | 0.81 | — | — | |
| Dimethylamine SCHEMBL8667229 | 0.78 | — | — | |
| Dimethylamine SCHEMBL8755365 | 0.74 | — | — | |
| SCHEMBL812621 | 0.74 | — | — | |
| Fluoride SCHEMBL27619034 | 0.72 | — | — | |
| SCHEMBL29236260 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL17847632 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL5179176 | 0.72 | — | — | |
| Dimethylamine SCHEMBL8755310 | 0.72 | — | — |
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 |