⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21085299 | 0.81 | CYP3A4 (0.32) | — | |
| SCHEMBL21163706 | 0.69 | CYP3A4 (0.32) | — | |
| SCHEMBL19005889 | 0.69 | — | — | |
| SCHEMBL10062047 | 0.68 | HSD17B1 (0.34) | — | |
| SCHEMBL22812841 | 0.66 | ALDH1A1 (0.48) | — | |
| SCHEMBL13720602 | 0.66 | ALDH1A1 (0.48) | — | |
| SCHEMBL13844494 | 0.66 | ALDH1A1 (0.48) | — | |
| SCHEMBL10039954 | 0.66 | ALDH1A1 (0.48) | — | |
| SCHEMBL10065627 | 0.66 | ALDH1A1 (0.48) | — | |
| SCHEMBL13886460 | 0.66 | ALDH1A1 (0.48) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3647392-A1 | LIGHT-EMITTING MATERIAL, COMPOUND, LONG-PERSISTENT PHOSPHOR AND LIGHT-EMITTING ELEMENT | Kyulux, Inc. (JP) | 2020-05-06 | — | — | EP | disclosed |