⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21858467 | 0.72 | — | — | |
| SCHEMBL11164094 | 0.67 | — | — | |
| SCHEMBL28167363 | 0.65 | — | — | |
| SCHEMBL22091890 | 0.62 | ALDH1A1 (0.33) | — | |
| SCHEMBL22106322 | 0.61 | ALDH1A1 (0.32) | — | |
| SCHEMBL22106596 | 0.61 | ALDH1A1 (0.32) | — | |
| SCHEMBL21546100 | 0.61 | — | — | |
| SCHEMBL6936806 | 0.61 | — | — | |
| SCHEMBL10337444 | 0.59 | — | — | |
| SCHEMBL16551936 | 0.58 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112805273-A | 2-ethyl-2, 3-epoxybutoxy compound | 捷恩智株式会社 | 2021-05-14 | — | — | CN | claimed |
| CN-112805273-A | 2-ethyl-2, 3-epoxybutoxy compound | 捷恩智株式会社 | 2021-05-14 | — | — | CN | disclosed |
| CN-112805273-A | 2-ethyl-2, 3-epoxybutoxy compound | 捷恩智株式会社 | 2021-05-14 | — | — | CN | disclosed |
| CN-112805273-A | 2-ethyl-2, 3-epoxybutoxy compound | 捷恩智株式会社 | 2021-05-14 | — | — | CN | disclosed |
| WO-2020079895-A1 | 2-ETHYL-2, 3-EPOXYBUTYLOXY COMPOUND | JNC株式会社 | 2020-04-23 | — | — | WO | disclosed |