⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL114351 | 1.00 | — | — | |
| SCHEMBL12918410 | 0.90 | ALDH1A1 (0.37) | — | |
| SCHEMBL12328671 | 0.90 | — | — | |
| Ethylene Glycol SCHEMBL450520 | 0.87 | ALDH1A1 (0.35) | — | |
| Ethylene Glycol SCHEMBL2723632 | 0.87 | ALDH1A1 (0.35) | — | |
| SCHEMBL194541 | 0.86 | ALDH1A1 (0.39) | — | |
| SCHEMBL20637047 | 0.86 | ALDH1A1 (0.39) | — | |
| SCHEMBL7011240 | 0.85 | — | — | |
| SCHEMBL310965 | 0.83 | — | — | |
| SCHEMBL12269417 | 0.83 | ALDH1A1 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-118393132-A | Single epitope antigen labeling method, antigen marker, kit and application | 科美诊断技术股份有限公司 | 2024-07-26 | — | — | CN | claimed |
| CN-118393132-A | Single epitope antigen labeling method, antigen marker, kit and application | 科美诊断技术股份有限公司 | 2024-07-26 | — | — | CN | disclosed |