⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8020688 | 0.69 | — | — | |
| SCHEMBL8020686 | 0.69 | — | — | |
| SCHEMBL29080029 | 0.64 | — | — | |
| SCHEMBL20580834 | 0.64 | — | — | |
| SCHEMBL8523224 | 0.64 | — | — | |
| SCHEMBL6916503 | 0.64 | — | — | |
| SCHEMBL27464954 | 0.64 | — | — | |
| SCHEMBL35875 | 0.62 | — | — | |
| Butadiene SCHEMBL1240104 | 0.62 | — | — | |
| SCHEMBL27372925 | 0.62 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116836749-A | Synthetic water-based cutting fluid containing isononanoic acid and preparation method thereof | 山东亿科化学有限责任公司 | 2023-10-03 | — | — | CN | disclosed |
| WO-2004047989-A1 | BRIDGED METALLOCENE CATALYST COMPOUNDS FOR OLEFIN POLYMERIZATION | UNIVATION TECHNOLOGIES, LLC (US) | 2004-06-10 | — | — | WO | disclosed |
| US-20030104928-A1 | Bridged metallocene catalyst compounds for olefin polymerization | UNIVATION TECHNOLOGIES LLC | 2003-06-05 | — | — | US | disclosed |