⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14175481 | 0.76 | — | — | |
| SCHEMBL22025307 | 0.72 | LMNA (0.32) | — | |
| SCHEMBL24596368 | 0.65 | — | — | |
| SCHEMBL289192 | 0.60 | — | — | |
| SCHEMBL2885710 | 0.55 | — | — | |
| SCHEMBL1321648 | 0.52 | — | — | |
| Fluoride Ion SCHEMBL8572277 | 0.46 | — | — | |
| Fluoride Ion SCHEMBL6287068 | 0.46 | — | — | |
| SCHEMBL45345 | 0.45 | — | — | |
| SCHEMBL24637544 | 0.43 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170124027-A1 | METHOD AND SYSTEM FOR GENERATING AN EMBEDDING PATTERN USED FOR SOLVING A QUADRATIC BINARY OPTIMIZATION PROBLEM | 1QB INFORMATION TECHNOLOGIES INC. (CA) | 2017-05-04 | — | — | US | disclosed |
| EP-3027592-A1 | NOVEL MICROBIOCIDES | Syngenta Participations AG (CH) | 2016-06-08 | — | — | EP | disclosed |
| WO-2015014733-A1 | NOVEL MICROBIOCIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2015-02-05 | — | — | 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 |