⚠ 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 | |
|---|---|---|---|---|
| Cyclohexylamine SCHEMBL4447887 | 0.86 | SHBG (0.39) | — | |
| Alcohol SCHEMBL27543257 | 0.84 | — | — | |
| Alcohol SCHEMBL28440813 | 0.81 | ALDH1A1 (0.43) | — | |
| Propylamine SCHEMBL8950138 | 0.81 | — | — | |
| Propane SCHEMBL28065358 | 0.80 | KCNH2 (0.36) | — | |
| Methylamine SCHEMBL27815781 | 0.80 | THRB (0.36) | — | |
| Ethane SCHEMBL2240892 | 0.80 | — | — | |
| Methylamine SCHEMBL15877924 | 0.80 | — | — | |
| SCHEMBL5547 | 0.80 | — | — | |
| SCHEMBL28135207 | 0.78 | GNAI3 (0.33) | — |
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-115461338-B | 3-azabicyclo (3.1.0) hexane derivatives having KDM5 inhibitory activity and uses thereof | 小野药品工业株式会社 | 2024-02-20 | — | — | CN | disclosed |
| CN-115461338-A | 3-azabicyclo (3.1.0) hexane derivatives having KDM5 inhibitory activity and uses thereof | 小野药品工业株式会社 | 2022-12-09 | — | — | CN | disclosed |