⚠ 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 | |
|---|---|---|---|---|
| Ethylene SCHEMBL248596 | 0.92 | — | — | |
| SCHEMBL4946254 | 0.83 | — | — | |
| SCHEMBL1657752 | 0.78 | — | — | |
| SCHEMBL5408162 | 0.78 | — | — | |
| SCHEMBL1656670 | 0.75 | — | — | |
| Ethylenediamine SCHEMBL4788802 | 0.75 | ODC1 (0.32) | — | |
| SCHEMBL8778613 | 0.73 | — | — | |
| SCHEMBL9633820 | 0.73 | — | — | |
| SCHEMBL11026624 | 0.73 | — | — | |
| SCHEMBL4563364 | 0.73 | — | — |
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-6215013-B1 | DEHYDRATION, DECYCLIZATION, PYROLYSIS, ACIDIFICATION, SALT FORMATION, CATALYSIS | RHODIA CONSUMER SPECIALTIES LIMITED (GB) | 2001-04-10 | — | — | US | disclosed |