⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6440458 | 0.67 | — | — | |
| SCHEMBL2184 | 0.61 | — | — | |
| SCHEMBL3134205 | 0.61 | ALDH1A1 (0.43) | — | |
| SCHEMBL50048 | 0.58 | — | — | |
| Iodide SCHEMBL25277006 | 0.55 | — | — | |
| SCHEMBL6926611 | 0.55 | — | — | |
| Ammonia Solution, Strong SCHEMBL925673 | 0.55 | — | — | |
| SCHEMBL10826384 | 0.55 | — | — | |
| SCHEMBL6763266 | 0.55 | — | — | |
| SCHEMBL7132094 | 0.55 | — | — |
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-8057738-B2 | Cooling water scale inhibition method | WATER CONSERVATION TECHNOLOGY INTERNATIONAL, INC. (US) | 2011-11-15 | — | — | US | disclosed |
| US-20090159420-A1 | COOLING WATER CORROSION INHIBITION METHOD | WATER CONSERVATION TECHNOLOGY INTERNATIONAL, INC. | 2009-06-25 | — | — | US | disclosed |
| US-7517493-B2 | Cooling water corrosion inhibition method | WATER CONSERVATION TECHNOLOGY INTERNATIONAL, INC. | 2009-04-14 | — | — | US | disclosed |