⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26277974 | 0.93 | — | — | |
| SCHEMBL24936717 | 0.93 | PDK2 (0.33) | — | |
| SCHEMBL16996287 | 0.93 | PDK2 (0.33) | — | |
| SCHEMBL26281289 | 0.92 | KDM4E (0.30) | — | |
| SCHEMBL24923534 | 0.91 | PDK2 (0.30) | — | |
| SCHEMBL16802019 | 0.91 | KDM4E (0.31) | — | |
| SCHEMBL24923081 | 0.91 | PDK2 (0.32) | — | |
| SCHEMBL25125060 | 0.91 | PDK2 (0.32) | — | |
| SCHEMBL26279344 | 0.90 | PDK2 (0.34) | — | |
| SCHEMBL26283360 | 0.90 | RARB (0.31) | — |
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-20230210002-A1 | COMPOSITION, AND ORGANIC ELECTROLUMINESCENCE DEVICE | IDEMITSU KOSAN CO.,LTD. (JP) | 2023-06-29 | — | — | US | disclosed |