⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15141613 | 0.75 | — | — | |
| SCHEMBL3645408 | 0.70 | — | — | |
| SCHEMBL16722714 | 0.69 | CA1 (0.35) | — | |
| SCHEMBL3394284 | 0.67 | — | — | |
| SCHEMBL11527851 | 0.65 | CA2 (0.32) | — | |
| SCHEMBL28655492 | 0.64 | — | — | |
| Ammonia Solution, Strong SCHEMBL11125838 | 0.63 | CA2 (0.30) | — | |
| SCHEMBL26354919 | 0.62 | — | — | |
| SCHEMBL170479 | 0.60 | TSHR (0.32) | — | |
| Trimethylammonium SCHEMBL5787935 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0929634-A2 | ALKOXYLATED, QUATERNIZED POLYAMINE DETERGENT INGREDIENTS | THE PROCTER & GAMBLE COMPANY (US) | 1999-07-21 | — | — | EP | disclosed |
| WO-1998015608-A2 | ALKOXYLATED, QUATERNIZED POLYAMINE DETERGENT INGREDIENTS | THE PROCTER & GAMBLE COMPANY (US) | 1998-04-16 | — | — | WO | disclosed |