⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9404079 | 0.73 | — | — | |
| SCHEMBL27959727 | 0.71 | — | — | |
| SCHEMBL10064121 | 0.71 | — | — | |
| SCHEMBL8576893 | 0.71 | — | — | |
| SCHEMBL12845252 | 0.71 | — | — | |
| SCHEMBL1194255 | 0.71 | — | — | |
| SCHEMBL15355173 | 0.71 | — | — | |
| SCHEMBL233187 | 0.71 | — | — | |
| SCHEMBL16279190 | 0.69 | — | — | |
| SCHEMBL28485008 | 0.69 | TRPA1 (0.39) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6046293-A | Solid-liquid phase interfacial polymerization | UNIVERSITY OF SOUTH AUSTRALIA (AU) | 2000-04-04 | — | — | US | claimed |
| EP-1006136-A1 | Solid-liquid phase interfacial polymerisation | DOW CORNING CORPORATION (US) | 2000-06-07 | — | — | EP | disclosed |
| US-6046293-A | Solid-liquid phase interfacial polymerization | UNIVERSITY OF SOUTH AUSTRALIA (AU) | 2000-04-04 | — | — | US | disclosed |
| US-3987061-A | METAL COMPLEXING AGENTS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1976-10-19 | — | — | US | disclosed |