⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12276842 | 0.65 | GSK3A (0.41) | — | |
| SCHEMBL11303901 | 0.59 | — | — | |
| SCHEMBL654918 | 0.57 | — | — | |
| SCHEMBL9208491 | 0.56 | — | — | |
| SCHEMBL6746850 | 0.55 | GABRA1 (0.31) | — | |
| SCHEMBL4721785 | 0.54 | — | — | |
| SCHEMBL28213821 | 0.50 | GSK3A (0.32) | — | |
| SCHEMBL17646226 | 0.50 | GSK3A (0.32) | — | |
| SCHEMBL9587810 | 0.49 | GSK3B (0.37) | — | |
| SCHEMBL5987355 | 0.49 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-113461712-A | Solution processing type oligomer semiconductor material | 蚌埠学院 | 2021-10-01 | — | — | CN | disclosed |