⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1842247 | 0.78 | — | — | |
| Acrylamide SCHEMBL29051391 | 0.76 | TSHR (0.58) | — | |
| SCHEMBL28371729 | 0.76 | — | — | |
| SCHEMBL3281307 | 0.76 | TSHR (0.37) | — | |
| SCHEMBL28655979 | 0.74 | ALDH1A1 (0.47) | — | |
| SCHEMBL2080425 | 0.74 | — | — | |
| SCHEMBL5962166 | 0.74 | ALDH1A1 (0.47) | — | |
| SCHEMBL9615484 | 0.74 | — | — | |
| SCHEMBL220078 | 0.73 | — | — | |
| SCHEMBL28769031 | 0.72 | TSHR (0.50) | — |
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-20030078354-A1 | Novel beta-oxo compounds and their use in photoresist | ARCH SPECIALTY CHEMICALS, INC. (US) | 2003-04-24 | — | — | US | claimed |
| WO-2002068527-A2 | NOVEL β-OXO COMPOUNDS AND THEIR USE IN PHOTORESIST | ARCH SPECIALTY CHEMICALS, INC. (US) | 2002-09-06 | — | — | WO | claimed |
| US-8092705-B2 | Simple method for introducing magnetic particles into a polymer | BEIJING DINGGUOCHANGSHENG BIOTECH, CO. LTD. (CN) | 2012-01-10 | — | — | US | disclosed |
| US-20100163778-A1 | SIMPLE METHOD FOR INTRODUCING MAGNETIC PARTICLES INTO A POLYMER | BEIJING DINGGUOCHANGSHENG BIOTECH, CO. LTD. (CN) | 2010-07-01 | — | — | US | disclosed |
| US-7622471-B2 | Pyrazole derivatives having a pyridazine and pyridine functionality | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2009-11-24 | — | — | US | disclosed |
| US-20030078354-A1 | Novel beta-oxo compounds and their use in photoresist | ARCH SPECIALTY CHEMICALS, INC. (US) | 2003-04-24 | — | — | US | disclosed |
| WO-2002068527-A2 | NOVEL β-OXO COMPOUNDS AND THEIR USE IN PHOTORESIST | ARCH SPECIALTY CHEMICALS, INC. (US) | 2002-09-06 | — | — | WO | disclosed |