⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11380008 | 0.79 | — | — | |
| SCHEMBL284728 | 0.77 | TSHR (0.40) | — | |
| SCHEMBL17365012 | 0.77 | — | — | |
| SCHEMBL276827 | 0.75 | — | — | |
| SCHEMBL17365040 | 0.74 | SLC7A5 (0.32) | — | |
| SCHEMBL9527915 | 0.74 | TSHR (0.38) | — | |
| SCHEMBL17365002 | 0.74 | SLC7A5 (0.32) | — | |
| Ethylene SCHEMBL28195307 | 0.72 | ALDH1A1 (0.36) | — | |
| SCHEMBL9527910 | 0.72 | — | — | |
| SCHEMBL24721636 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2539034-A2 | METHOD FOR DEAERATING LIQUIDS | Wacker Chemie AG (DE) | 2013-01-02 | — | — | EP | disclosed |
| EP-2485824-A1 | METHOD FOR DEAERATING LIQUIDS | Wacker Chemie AG (DE) | 2012-08-15 | — | — | EP | disclosed |
| WO-2011104196-A2 | METHOD FOR DEAERATING LIQUIDS | WACKER CHEMIE AG (DE) | 2011-09-01 | — | — | WO | disclosed |
| WO-2011042342-A1 | METHOD FOR DEAERATING LIQUIDS | WACKER CHEMIE AG (DE) | 2011-04-14 | — | — | WO | disclosed |