⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24618138 | 0.91 | PDK2 (0.31) | — | |
| SCHEMBL24618239 | 0.90 | GABRG2 (0.32) | — | |
| SCHEMBL25589405 | 0.89 | CYP1A2 (0.32) | — | |
| SCHEMBL25589436 | 0.89 | XDH (0.31) | — | |
| SCHEMBL25589541 | 0.88 | GABRG2 (0.35) | — | |
| SCHEMBL24618463 | 0.86 | PDK2 (0.30) | — | |
| SCHEMBL24618043 | 0.86 | MEN1 (0.33) | — | |
| SCHEMBL25589677 | 0.85 | GABRG2 (0.34) | — | |
| SCHEMBL24618048 | 0.85 | PDK2 (0.32) | — | |
| SCHEMBL25589672 | 0.84 | PDK2 (0.38) | — |
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-20220223796-A1 | ORGANIC COMPOUND, ELECTRONIC COMPONENT CONTAINING ORGANIC COMPOUND, AND ELECTRONIC DEVICE | SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) | 2022-07-14 | — | — | US | disclosed |