⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL536550 | 0.76 | — | — | |
| SCHEMBL16804004 | 0.67 | DYRK1A (0.37) | — | |
| SCHEMBL19818949 | 0.67 | — | — | |
| SCHEMBL9004429 | 0.67 | HDAC8 (0.31) | — | |
| SCHEMBL21599318 | 0.67 | — | — | |
| SCHEMBL21646643 | 0.62 | CA12 (0.32) | — | |
| SCHEMBL18041826 | 0.60 | CLK4 (0.58) | — | |
| SCHEMBL872420 | 0.58 | ALDH1A1 (0.39) | — | |
| SCHEMBL13837792 | 0.58 | ALDH1A1 (0.56) | — | |
| SCHEMBL6273480 | 0.55 | ALDH1A1 (0.36) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7927486-B2 | Polymer modified porous substrate for solid phase extraction | AGILENT TECHNOLOGIES, INC (US) | 2011-04-19 | — | — | US | disclosed |
| EP-1899050-A2 | POLAR FUNCTIONIZED POLYMER MODIFIED POROUS SUBSTRATE FOR SOLID PHASE EXTRACTION | Varian, Inc. (US) | 2008-03-19 | — | — | EP | disclosed |
| US-20080035558-A1 | Polymer modified porous substrate for solid phase extraction | AGILENT TECHNOLOGIES, INC. | 2008-02-14 | — | — | US | disclosed |
| US-7311825-B2 | Polymer modified porous substrate for solid phase extraction | VARIAN, INC. (US) | 2007-12-25 | — | — | US | disclosed |
| WO-2006118887-A2 | POLAR FUNCTIONIZED POLYMER MODIFIED POROUS SUBSTRATE FOR SOLID PHASE EXTRACTION | VARIAN, INC. (US) | 2006-11-09 | — | — | WO | disclosed |
| US-20060247361-A1 | Polar functionalized polymer modified porous substrate for solid phase extraction | VARIAN, INC. | 2006-11-02 | — | — | US | disclosed |
| US-20060247362-A1 | Polymer modified porous substrate for solid phase extraction | VARIAN, INC. | 2006-11-02 | — | — | US | disclosed |