⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17572968 | 0.94 | — | — | |
| SCHEMBL26431486 | 0.91 | MEN1 (0.30) | — | |
| SCHEMBL4080089 | 0.91 | GABRA1 (0.31) | — | |
| SCHEMBL24859442 | 0.90 | — | — | |
| SCHEMBL13339032 | 0.90 | ALDH1A1 (0.30) | — | |
| SCHEMBL10068525 | 0.89 | PTGDR2 (0.33) | — | |
| SCHEMBL22568581 | 0.87 | — | — | |
| SCHEMBL17572914 | 0.86 | MEN1 (0.32) | — | |
| SCHEMBL21906555 | 0.85 | CNR1 (0.32) | — | |
| SCHEMBL13339043 | 0.85 | KDM4E (0.34) | — |
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-11552259-B1 | Organic electroluminescent element and electronic device | IDEMITSU KOSAN CO., LTD. (JP) | 2023-01-10 | — | — | US | disclosed |