⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24902881 | 0.86 | — | — | |
| SCHEMBL20099326 | 0.85 | — | — | |
| SCHEMBL26481882 | 0.84 | ALDH1A1 (0.33) | — | |
| SCHEMBL22868295 | 0.83 | TSPO (0.35) | — | |
| SCHEMBL24902285 | 0.81 | KDM4E (0.35) | — | |
| SCHEMBL18862041 | 0.80 | KDM4E (0.32) | — | |
| SCHEMBL22084869 | 0.80 | KDM4E (0.33) | — | |
| SCHEMBL24902810 | 0.80 | KDM4E (0.36) | — | |
| SCHEMBL24902560 | 0.80 | KDM4E (0.36) | — | |
| SCHEMBL24902804 | 0.80 | KDM4E (0.36) | — |
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-20230023811-A1 | COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE | IDEMITSU KOSAN CO.,LTD. (JP) | 2023-01-26 | — | — | US | disclosed |