⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9930073 | 0.85 | ALDH1A1 (0.31) | — | |
| SCHEMBL652273 | 0.76 | — | — | |
| Ethane SCHEMBL3900069 | 0.72 | ALDH1A1 (0.31) | — | |
| Propane SCHEMBL3914028 | 0.67 | TSHR (0.35) | — | |
| SCHEMBL3358652 | 0.67 | — | — | |
| SCHEMBL23354607 | 0.63 | POLB (0.30) | — | |
| SCHEMBL1720460 | 0.62 | — | — | |
| SCHEMBL1630403 | 0.62 | ALDH1A1 (0.31) | — | |
| SCHEMBL13417336 | 0.62 | ALDH1A1 (0.31) | — | |
| SCHEMBL21375499 | 0.62 | ALDH1A1 (0.31) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109890795-A | The imdazole derivatives that new 5- replaces | 拜耳作物科学股份公司 | 2019-06-14 | — | — | CN | disclosed |