⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL586968 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL3677303 | 0.90 | — | — | |
| Fluoride SCHEMBL1130564 | 0.90 | — | — | |
| Dimethylamine SCHEMBL7211011 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL6521779 | 0.87 | — | — | |
| Dimethylamine SCHEMBL7211204 | 0.87 | — | — | |
| SCHEMBL7211009 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL6444037 | 0.84 | — | — | |
| SCHEMBL7212776 | 0.83 | — | — | |
| SCHEMBL7211827 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20020156208-A1 | Olefin polymerization process with alkyl-substituted metallocenes | EXXONMOBIL CHEMICAL PATENTS, INC. | 2002-10-24 | — | — | US | disclosed |