⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11507737 | 0.69 | ALDH1A1 (0.50) | — | |
| SCHEMBL3835606 | 0.67 | — | — | |
| SCHEMBL7519143 | 0.64 | — | — | |
| SCHEMBL7517487 | 0.64 | — | — | |
| SCHEMBL7517483 | 0.64 | — | — | |
| SCHEMBL7519012 | 0.64 | — | — | |
| SCHEMBL7523837 | 0.64 | — | — | |
| SCHEMBL380084 | 0.62 | — | — | |
| SCHEMBL369780 | 0.62 | — | — | |
| SCHEMBL3412757 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6796436-B2 | Method and apparatus for preparing pure water | IONICS, INCORPORATED | 2004-09-28 | — | — | US | disclosed |
| WO-2003009919-A2 | METHOD AND APPARATUS FOR PREPARING PURE WATER | IONICS, INCORPORATED (US) | 2003-02-06 | — | — | WO | disclosed |
| US-20030019818-A1 | Method and apparatus for preparing pure water | IONICS, INCORPORATED | 2003-01-30 | — | — | US | disclosed |