⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7463157 | 0.91 | — | — | |
| SCHEMBL2380680 | 0.67 | — | — | |
| SCHEMBL4853926 | 0.61 | — | — | |
| SCHEMBL11535178 | 0.59 | — | — | |
| SCHEMBL17508461 | 0.58 | — | — | |
| SCHEMBL31039491 | 0.58 | — | — | |
| SCHEMBL22015653 | 0.58 | — | — | |
| SCHEMBL2378237 | 0.58 | — | — | |
| SCHEMBL21291813 | 0.56 | — | — | |
| SCHEMBL10036821 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0865417-B1 | IMPROVED HYDROGENOLYSIS OF 2,4,6,8,10,12-HEXABENZYL-2,4,6,8,10,12-HEXAAZATETRACYCLO 5.5.0.0?5,9 .0?3,11 ]DODECANE | ALLIANT TECHSYSTEMS INC (US) | 2004-03-31 | — | — | EP | claimed |
| WO-2002066452-A1 | PROCESSES FOR PRODUCING FLUORINATED CYCLIC ETHERS AND USE THEREOF | ASAHI GLASS COMPANY, LIMITED (JP) | 2002-08-29 | — | — | WO | disclosed |
| EP-1001816-A4 | PERFLUORINATED-ETHER COMPOSITIONS AS DIAGNOSTIC CONTRAST AGENTS | IMARX PHARMACEUTICAL CORP (US) | 2002-07-17 | — | — | EP | disclosed |
| EP-1001816-A1 | PERFLUORINATED-ETHER COMPOSITIONS AS DIAGNOSTIC CONTRAST AGENTS | IMARX PHARMACEUTICAL CORP. (US) | 2000-05-24 | — | — | EP | disclosed |
| WO-1998023298-A1 | PERFLUORINATED-ETHER COMPOSITIONS AS DIAGNOSTIC CONTRAST AGENTS | IMARX PHARMACEUTICAL CORP. (US) | 1998-06-04 | — | — | WO | disclosed |