⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9313243 | 0.83 | FUCA1 (0.30) | — | |
| SCHEMBL6260802 | 0.72 | — | — | |
| SCHEMBL2632693 | 0.72 | — | — | |
| SCHEMBL6101798 | 0.72 | — | — | |
| SCHEMBL29059601 | 0.61 | — | — | |
| SCHEMBL13176807 | 0.61 | — | — | |
| SCHEMBL30068448 | 0.56 | — | — | |
| SCHEMBL9332247 | 0.54 | — | — | |
| SCHEMBL18830410 | 0.54 | — | — | |
| SCHEMBL724366 | 0.53 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-118620793-B | Chlorobenzene pollutant degrading bacterium and application thereof | EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) | 2026-05-26 | — | — | CN | disclosed |
| CN-118620793-A | Chlorobenzene pollutant degrading bacterium and application thereof | 华东理工大学 | 2024-09-10 | — | — | CN | disclosed |
| EP-2230312-A1 | Probe compound for detecting and isolating enzymes and means and methods using the same | Helmholtz-Zentrum für Infektionsforschung GmbH (DE) | 2010-09-22 | — | — | EP | disclosed |