⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23070277 | 0.91 | — | — | |
| SCHEMBL4436985 | 0.90 | — | — | |
| SCHEMBL5319891 | 0.88 | — | — | |
| SCHEMBL3920249 | 0.87 | — | — | |
| Ammonia Solution, Strong SCHEMBL29069448 | 0.86 | — | — | |
| SCHEMBL27566069 | 0.85 | ALDH1A1 (0.33) | — | |
| SCHEMBL28228887 | 0.85 | — | — | |
| SCHEMBL22092567 | 0.85 | — | — | |
| SCHEMBL7025874 | 0.84 | OPRM1 (0.39) | — | |
| Ammonia Solution, Strong SCHEMBL3274727 | 0.84 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2006135444-A2 | SLOW-RELEASE INHIBITOR FOR CORROSION CONTROL OF METALS | THE UNIVERSITY OF CINCINNATI (US) | 2006-12-21 | — | — | WO | disclosed |
| US-20060091354-A1 | Slow-release inhibitor for corrosion control of metals | UNIVERSITY OF CINCINNATI | 2006-05-04 | — | — | US | disclosed |