⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28291795 | 0.82 | — | — | |
| SCHEMBL301936 | 0.73 | — | — | |
| SCHEMBL3719827 | 0.73 | ALDH1A1 (0.43) | — | |
| SCHEMBL22657876 | 0.72 | ALDH1A1 (0.44) | — | |
| SCHEMBL27853137 | 0.71 | ALDH1A1 (0.46) | — | |
| SCHEMBL27945446 | 0.71 | ALDH1A1 (0.46) | — | |
| SCHEMBL27760418 | 0.70 | ALDH1A1 (0.38) | — | |
| SCHEMBL31539448 | 0.67 | ALDH1A1 (0.40) | — | |
| SCHEMBL27913733 | 0.66 | HCAR2 (0.49) | — | |
| Hydrochloric Acid SCHEMBL28186334 | 0.66 | CYP11B1 (0.54) | — |
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-109824656-A | Polysubstituted imidazole formic acid ester derivative and application thereof | 成都安诺晨创医药科技有限公司 | 2019-05-31 | — | — | CN | disclosed |
| CN-109761906-A | A kind of substituted imidazole formate ester derivative and application thereof | 成都安诺晨创医药科技有限公司 | 2019-05-17 | — | — | CN | disclosed |
| CN-109715615-A | Biaryl methyl heterocycles | 蒙特利尔大学 | 2019-05-03 | — | — | CN | disclosed |