⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20689809 | 0.91 | — | — | |
| SCHEMBL22751635 | 0.89 | — | — | |
| SCHEMBL22751703 | 0.89 | — | — | |
| SCHEMBL22751651 | 0.89 | — | — | |
| SCHEMBL22751636 | 0.87 | — | — | |
| SCHEMBL22751641 | 0.87 | — | — | |
| SCHEMBL22751629 | 0.87 | — | — | |
| SCHEMBL21453524 | 0.83 | KDM4E (0.36) | — | |
| SCHEMBL20689946 | 0.82 | KDM4E (0.35) | — | |
| SCHEMBL20689958 | 0.82 | ALDH1A1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10862050-B2 | Heterocyclic compound and organic electroluminescence device including the same | SAMSUNG DISPLAY CO., LTD. (KR) | 2020-12-08 | — | — | US | disclosed |