⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11873574 | 0.78 | — | — | |
| SCHEMBL730294 | 0.78 | — | — | |
| SCHEMBL21246961 | 0.77 | — | — | |
| SCHEMBL1752018 | 0.76 | ADH1B (0.40) | — | |
| SCHEMBL7519665 | 0.75 | ADH1B (0.39) | — | |
| SCHEMBL16450524 | 0.74 | — | — | |
| SCHEMBL8675118 | 0.72 | SMPD1 (0.36) | — | |
| SCHEMBL1920404 | 0.72 | ADH1B (0.31) | — | |
| SCHEMBL14378299 | 0.71 | ADH1B (0.35) | — | |
| SCHEMBL18677607 | 0.70 | ADH1B (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6617483-B1 | Extractive distillation for separating a mixture of hydrocarbons with an alkylene glycol and a compatibility agent having polar parameters and hydrogen bonding parameters that result in improved separation | GAYLORD CHEMICAL CORPORATION | 2003-09-09 | — | — | US | claimed |
| US-6617483-B1 | Extractive distillation for separating a mixture of hydrocarbons with an alkylene glycol and a compatibility agent having polar parameters and hydrogen bonding parameters that result in improved separation | GAYLORD CHEMICAL CORPORATION | 2003-09-09 | — | — | US | disclosed |
| US-4988827-A | Radioimaging of myocardial tissues | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1991-01-29 | — | — | US | disclosed |
| EP-0233368-B1 | ETHER ISONITRILES AND RADIOLABELED COMPLEXES THEREOF | DU PONT (US) | 1990-07-25 | — | — | EP | disclosed |