⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30568074 | 0.87 | — | — | |
| SCHEMBL10409843 | 0.87 | — | — | |
| SCHEMBL10987554 | 0.75 | — | — | |
| Potassium Ion SCHEMBL8179130 | 0.75 | — | — | |
| SCHEMBL8171796 | 0.75 | — | — | |
| SCHEMBL1068573 | 0.75 | — | — | |
| SCHEMBL11040641 | 0.75 | — | — | |
| Zinc Ion SCHEMBL11168089 | 0.75 | — | — | |
| SCHEMBL10833365 | 0.71 | — | — | |
| SCHEMBL15260 | 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 |
|---|---|---|---|---|---|---|---|
| US-4447639-A | Oxidative carbonylation of alcohols to dialkyl oxalates using a heterogeneous iron promoted Pd-V-P catalyst | ATLANTIC RICHFIELD COMPANY (US) | 1984-05-08 | — | — | US | disclosed |