⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19752529 | 0.80 | PDK2 (0.35) | — | |
| SCHEMBL23065044 | 0.77 | PDK2 (0.35) | — | |
| SCHEMBL16802019 | 0.76 | KDM4E (0.31) | — | |
| SCHEMBL24860802 | 0.75 | ESR1 (0.34) | — | |
| SCHEMBL24923292 | 0.74 | PDK2 (0.34) | — | |
| SCHEMBL26277974 | 0.74 | — | — | |
| SCHEMBL20806589 | 0.74 | KDM4E (0.33) | — | |
| SCHEMBL26278219 | 0.74 | PDK2 (0.33) | — | |
| SCHEMBL22480332 | 0.73 | PDK2 (0.32) | — | |
| SCHEMBL26282975 | 0.73 | KDM4E (0.32) | — |
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-3790857-B1 | COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE | IDEMITSU KOSAN CO (JP) | 2023-01-11 | — | — | EP | disclosed |