⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL760077 | 0.72 | — | — | |
| SCHEMBL18815080 | 0.64 | — | — | |
| SCHEMBL14819207 | 0.62 | — | — | |
| SCHEMBL3958183 | 0.62 | — | — | |
| SCHEMBL15355042 | 0.62 | — | — | |
| SCHEMBL15159913 | 0.62 | — | — | |
| SCHEMBL14823834 | 0.62 | — | — | |
| SCHEMBL14905993 | 0.62 | — | — | |
| SCHEMBL21884183 | 0.62 | — | — | |
| SCHEMBL14402193 | 0.56 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2584035-A1 | Horseradish peroxidase isoenzymes | Technische Universität Graz (AT) | 2013-04-24 | — | — | EP | disclosed |
| CN-102049181-B | Purification method of sulfur-containing organic waste gas | CHINA PETROLEUM & CHEMICAL | 2013-03-20 | — | — | CN | disclosed |
| CN-102049181-A | Purification method of sulfur-containing organic waste gas | CHINA PETROLEUM & CHEMICAL | 2011-05-11 | — | — | CN | disclosed |