⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25818277 | 0.88 | PRKDC (0.30) | — | |
| SCHEMBL25819177 | 0.72 | ALK (0.30) | — | |
| SCHEMBL24618527 | 0.70 | HTT (0.33) | — | |
| SCHEMBL25819053 | 0.70 | PLA2G2A (0.32) | — | |
| SCHEMBL25819075 | 0.70 | ALOX5 (0.34) | — | |
| SCHEMBL25819030 | 0.69 | PRKDC (0.33) | — | |
| SCHEMBL25819079 | 0.69 | MMP12 (0.31) | — | |
| SCHEMBL25878376 | 0.68 | HTT (0.34) | — | |
| SCHEMBL25038009 | 0.68 | HTT (0.30) | — | |
| SCHEMBL24608838 | 0.68 | HTT (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-20230217825-A1 | ORGANIC COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE USING SAME | SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) | 2023-07-06 | — | — | US | disclosed |