⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1417432 | 0.77 | — | — | |
| SCHEMBL1417239 | 0.71 | — | — | |
| SCHEMBL2461368 | 0.69 | — | — | |
| SCHEMBL1417661 | 0.69 | — | — | |
| Acrylonitrile SCHEMBL9768635 | 0.67 | ALDH1A1 (0.47) | — | |
| SCHEMBL10801329 | 0.65 | — | — | |
| SCHEMBL1398272 | 0.64 | — | — | |
| SCHEMBL3124801 | 0.64 | — | — | |
| SCHEMBL9550363 | 0.64 | — | — | |
| Acrylonitrile SCHEMBL11507525 | 0.64 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1899050-A2 | POLAR FUNCTIONIZED POLYMER MODIFIED POROUS SUBSTRATE FOR SOLID PHASE EXTRACTION | Varian, Inc. (US) | 2008-03-19 | — | — | EP | disclosed |
| WO-2006118887-A2 | POLAR FUNCTIONIZED POLYMER MODIFIED POROUS SUBSTRATE FOR SOLID PHASE EXTRACTION | VARIAN, INC. (US) | 2006-11-09 | — | — | WO | disclosed |
| US-6890609-B2 | Ink-jet receptor sheet containing nitrile polymer | AVECIA LIMITED (GB) | 2005-05-10 | — | — | US | disclosed |
| US-20030176566-A1 | Ink-jet receptor sheet containing nitrile polymer | AVECIA INKJET LIMITED (GB) | 2003-09-18 | — | — | US | disclosed |
| WO-2002016143-A1 | INK-JET RECEPTOR SHEET CONTAINING NITRILE POLYMER | AVECIA LIMITED (GB) | 2002-02-28 | — | — | WO | disclosed |