⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL329850 | 0.78 | — | — | |
| SCHEMBL8909857 | 0.75 | — | — | |
| Iodide SCHEMBL31261479 | 0.75 | — | — | |
| SCHEMBL1551404 | 0.75 | — | — | |
| SCHEMBL13247142 | 0.73 | — | — | |
| SCHEMBL6810646 | 0.73 | — | — | |
| SCHEMBL9167622 | 0.73 | — | — | |
| SCHEMBL7045792 | 0.73 | — | — | |
| SCHEMBL3078279 | 0.71 | — | — | |
| Benzene SCHEMBL27768545 | 0.71 | NPSR1 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-11269149-A | — | — | None | — | — | JP | disclosed |
| EP-1689789-A2 | NOVEL CYCLODEXTRIN DIMERS AND DERIVATIVES THEREOF, METHODS FOR PREPARING THEM AND THEIR USE, IN PARTICULAR, FOR SOLUBILIZING PHARMACOLOGICALLY ACTIVE SUBSTANCES | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) | 2006-08-16 | — | — | EP | disclosed |
| WO-2005054303-A2 | CYCLODEXTRIN DIMERS AND DERIVATIVES THEREOF, METHODS FOR PREPARING THEM AND THEIR USE, IN PARTICULAR, FOR SOLUBILIZING PHARMACOLOGICALLY ACTIVE SUBSTANCES | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2005-06-16 | — | — | WO | disclosed |
| JP-H11269149-A | PRODUCTION OF 2-IMINOIMIDAZOLIDINES | SHIRATORI SEIYAKU KK | 1999-10-05 | — | — | JP | disclosed |