⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25614 | 0.78 | — | — | |
| Di(Hydroxyethyl)Ether SCHEMBL1548102 | 0.77 | TSHR (0.67) | — | |
| Ethylene Glycol SCHEMBL27629265 | 0.76 | TSHR (0.47) | — | |
| Ethylene Glycol SCHEMBL27486822 | 0.76 | TSHR (0.47) | — | |
| SCHEMBL5499574 | 0.76 | — | — | |
| SCHEMBL11558632 | 0.76 | — | — | |
| SCHEMBL1684954 | 0.76 | — | — | |
| SCHEMBL4710145 | 0.76 | TSHR (0.47) | — | |
| Tetraethylene Glycol SCHEMBL1696570 | 0.75 | MEN1 (0.69) | — | |
| Triethylene Glycol SCHEMBL1604611 | 0.75 | MEN1 (0.69) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2144876-B1 | OXIME ESTER PHOTOINITIATORS | BASF SE (DE) | 2012-09-12 | — | — | EP | disclosed |
| EP-2144876-A1 | OXIME ESTER PHOTOINITIATORS | BASF SE (DE) | 2010-01-20 | — | — | EP | disclosed |
| WO-2008138724-A1 | OXIME ESTER PHOTOINITIATORS | BASF SE (CH) | 2008-11-20 | — | — | WO | disclosed |