⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14307810 | 0.92 | HRH4 (0.42) | — | |
| SCHEMBL14143044 | 0.91 | HRH3 (0.35) | — | |
| SCHEMBL14140514 | 0.91 | HRH3 (0.32) | — | |
| SCHEMBL6449281 | 0.90 | HRH4 (0.44) | — | |
| Immepip SCHEMBL6347746 | 0.88 | HRH3 (0.46) | — | |
| Immepip SCHEMBL6354845 | 0.87 | HRH3 (0.47) | — | |
| Immepip SCHEMBL6605805 | 0.87 | HRH3 (0.45) | — | |
| SCHEMBL12048473 | 0.85 | — | — | |
| SCHEMBL12048484 | 0.85 | — | — | |
| Methimepip SCHEMBL8320104 | 0.85 | HRH3 (0.51) | — |
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-105793256-B | Imdazole derivatives | 豪夫迈·罗氏有限公司 | 2019-09-10 | — | — | CN | disclosed |
| CN-105793256-A | Imidazole derivatives | 豪夫迈·罗氏有限公司 | 2016-07-20 | — | — | CN | disclosed |