⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7009076 | 0.81 | — | — | |
| SCHEMBL28802200 | 0.80 | — | — | |
| SCHEMBL8557066 | 0.79 | — | — | |
| SCHEMBL9338773 | 0.78 | — | — | |
| SCHEMBL20489 | 0.78 | — | — | |
| SCHEMBL28799965 | 0.77 | ALDH1A1 (0.36) | — | |
| SCHEMBL11668510 | 0.76 | — | — | |
| SCHEMBL16115536 | 0.75 | PIK3CD (0.32) | — | |
| SCHEMBL27882980 | 0.75 | — | — | |
| SCHEMBL28452294 | 0.75 | ALDH1A1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-106631933-B | The preparation method of ethyl methoxyethoxyethyl sulfone | 中国科学院青海盐湖研究所 | 2018-10-09 | — | — | CN | disclosed |
| CN-102208681-B | Nonaqueous electrolyte solution and lithium secondary battery using same | MITSUBISHI CHEM CORP | 2012-11-21 | — | — | CN | disclosed |
| EP-2041232-A1 | ADHESIVE MIXTURES HAVING POLYACRYLNITRILE | Henkel AG & Co. KGaA (DE) | 2009-04-01 | — | — | EP | disclosed |
| WO-2008006694-A1 | ADHESIVE MIXTURES HAVING POLYACRYLNITRILE | HENKEL AG & CO. KGAA (DE) | 2008-01-17 | — | — | WO | disclosed |