⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16922279 | 0.77 | ALDH1A1 (0.36) | — | |
| SCHEMBL18814141 | 0.75 | — | — | |
| SCHEMBL14616171 | 0.73 | ALDH1A1 (0.34) | — | |
| SCHEMBL19169131 | 0.73 | — | — | |
| SCHEMBL295647 | 0.73 | — | — | |
| SCHEMBL295646 | 0.73 | — | — | |
| SCHEMBL14080248 | 0.71 | — | — | |
| SCHEMBL18431012 | 0.71 | ALDH1A1 (0.47) | — | |
| SCHEMBL6430277 | 0.71 | ALDH1A1 (0.47) | — | |
| SCHEMBL23652660 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3524646-A1 | IONIC COMPOUND, COATING COMPOSITION COMPRISING SAME, AND ORGANIC LIGHT-EMITTING DIODE | LG Chem, Ltd. (KR) | 2019-08-14 | — | — | EP | disclosed |
| WO-2010137738-A1 | HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2010-12-02 | — | — | WO | disclosed |