⚠ 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 | |
|---|---|---|---|---|
| Diethyl Hydrogen Phosphate SCHEMBL693771 | 0.91 | — | — | |
| Phosphoric Acid Monomethyl Ester SCHEMBL4537990 | 0.87 | — | — | |
| Phosphoric Acid SCHEMBL4397366 | 0.87 | — | — | |
| Methyl Phosphonate SCHEMBL2452473 | 0.85 | — | — | |
| Phosphoric Acid SCHEMBL8002606 | 0.83 | FDPS (0.30) | — | |
| Methyl Phosphonate SCHEMBL15575347 | 0.81 | CYP2C19 (0.30) | — | |
| Bromide SCHEMBL273016 | 0.77 | — | — | |
| Water SCHEMBL3942297 | 0.77 | — | — | |
| Iodide SCHEMBL379673 | 0.77 | — | — | |
| Diethyl Hydrogen Phosphate SCHEMBL6005556 | 0.77 | LMNA (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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2638123-A1 | WORKING MEDIUM FOR ABSORPTION HEAT PUMPS | Evonik Degussa GmbH (DE) | 2013-09-18 | — | — | EP | claimed |
| WO-2012062656-A1 | WORKING MEDIUM FOR ABSORPTION HEAT PUMPS | EVONIK DEGUSSA GMBH (DE) | 2012-05-18 | — | — | WO | claimed |
| EP-3137667-A1 | NONWOVEN FIBROUS STRUCTURES INCLUDING IONIC REINFORCEMENT MATERIAL, AND METHODS | 3M Innovative Properties Company (US) | 2017-03-08 | — | — | EP | disclosed |
| EP-2638123-A1 | WORKING MEDIUM FOR ABSORPTION HEAT PUMPS | Evonik Degussa GmbH (DE) | 2013-09-18 | — | — | EP | disclosed |
| WO-2012062656-A1 | WORKING MEDIUM FOR ABSORPTION HEAT PUMPS | EVONIK DEGUSSA GMBH (DE) | 2012-05-18 | — | — | WO | disclosed |