⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL96445 | 0.96 | — | — | |
| Ammonia Solution, Strong SCHEMBL9098311 | 0.93 | — | — | |
| SCHEMBL5158148 | 0.93 | — | — | |
| SCHEMBL8371774 | 0.93 | — | — | |
| SCHEMBL7929828 | 0.93 | — | — | |
| Ethylene SCHEMBL10955207 | 0.87 | — | — | |
| Ethylene SCHEMBL9054259 | 0.87 | — | — | |
| SCHEMBL2329855 | 0.80 | — | — | |
| Ether SCHEMBL15532530 | 0.80 | ALDH1A1 (0.32) | — | |
| SCHEMBL6154613 | 0.78 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1069888-A1 | USE OF PARTICULATE CONTRAST AGENTS IN DIAGNOSTIC IMAGING FOR STUDYING PHYSIOLOGICAL PARAMETERS | NYCOMED IMAGING AS (NO) | 2001-01-24 | — | — | EP | disclosed |
| WO-1999052505-A1 | USE OF PARTICULATE CONTRAST AGENTS IN DIAGNOSTIC IMAGING FOR STUDYING PHYSIOLOGICAL PARAMETERS | NYCOMED IMAGING A.S. (NO) | 1999-10-21 | — | — | WO | disclosed |