⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23318772 | 0.95 | — | — | |
| SCHEMBL22780515 | 0.92 | PDK2 (0.32) | — | |
| SCHEMBL22787948 | 0.92 | PDK2 (0.32) | — | |
| SCHEMBL25501344 | 0.92 | — | — | |
| SCHEMBL25501109 | 0.91 | — | — | |
| SCHEMBL22780220 | 0.91 | PDK2 (0.31) | — | |
| SCHEMBL23318770 | 0.90 | — | — | |
| SCHEMBL22780324 | 0.90 | MMP12 (0.31) | — | |
| SCHEMBL22780163 | 0.90 | MEN1 (0.31) | — | |
| SCHEMBL25961707 | 0.90 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11655206-B2 | Nitrogen-containing compound, electronic element, and electronic device | SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) | 2023-05-23 | — | — | US | disclosed |
| US-11655206-B2 | Nitrogen-containing compound, electronic element, and electronic device | SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) | 2023-05-23 | — | — | US | disclosed |