⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1723 | 0.96 | — | — | |
| SCHEMBL19206133 | 0.96 | — | — | |
| Trimethylammonium SCHEMBL14244281 | 0.92 | DNM1 (0.50) | — | |
| SCHEMBL19253314 | 0.92 | — | — | |
| Water SCHEMBL1193209 | 0.92 | — | — | |
| Ammonia Solution, Strong SCHEMBL66739 | 0.92 | — | — | |
| Iodide SCHEMBL6387501 | 0.92 | — | — | |
| SCHEMBL11621000 | 0.92 | — | — | |
| Bromide SCHEMBL2584826 | 0.92 | — | — | |
| Ammonia Solution, Strong SCHEMBL15322639 | 0.92 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1819782-A1 | CATHODIC ELECTROCOATING COMPOSITIONS CONTAINING AN ANTI-CRATER AGENT | E.I.Du pont de nemours and company (US) | 2007-08-22 | — | — | EP | disclosed |
| WO-2006044872-A1 | CATHODIC ELECTROCOATING COMPOSITIONS CONTAINING AN ANTI-CRATER AGENT | E.I. DUPONT DE NEMOURS AND COMPANY (US) | 2006-04-27 | — | — | WO | disclosed |
| EP-1127044-A1 | A PROCESS FOR PREPARING ALKANOLAMINES FROM POLYOLEFIN EPOXIDES | HUNTSMAN PETROCHEMICAL CORPORATION (US) | 2001-08-29 | — | — | EP | disclosed |
| WO-2000027797-A1 | A PROCESS FOR PREPARING ALKANOLAMINES FROM POLYOLEFIN EPOXIDES | HUNTSMAN PETROCHEMICAL CORPORATION (US) | 2000-05-18 | — | — | WO | disclosed |