⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22091888 | 1.00 | — | — | |
| SCHEMBL22091890 | 0.91 | ALDH1A1 (0.33) | — | |
| SCHEMBL22106596 | 0.89 | ALDH1A1 (0.32) | — | |
| SCHEMBL22106322 | 0.89 | ALDH1A1 (0.32) | — | |
| SCHEMBL28601370 | 0.86 | ALDH1A1 (0.42) | — | |
| SCHEMBL28600699 | 0.83 | ALDH1A1 (0.33) | — | |
| SCHEMBL28919282 | 0.83 | ALDH1A1 (0.33) | — | |
| SCHEMBL28563112 | 0.77 | — | — | |
| SCHEMBL22106556 | 0.75 | RARB (0.40) | — | |
| SCHEMBL22106321 | 0.73 | HRH3 (0.41) | — |
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-113056459-A | Epoxy compound | 捷恩智株式会社 | 2021-06-29 | — | — | CN | disclosed |
| WO-2020121577-A1 | EPOXY COMPOUND | JNC株式会社 | 2020-06-18 | — | — | WO | disclosed |