⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22139376 | 0.74 | HSP90AA1 (0.30) | — | |
| SCHEMBL11639061 | 0.68 | GABRA1 (0.38) | — | |
| SCHEMBL31330939 | 0.67 | GABRA1 (0.41) | — | |
| SCHEMBL6273663 | 0.65 | GABRA1 (0.39) | — | |
| SCHEMBL27904725 | 0.65 | CYP3A4 (0.33) | — | |
| SCHEMBL790695 | 0.63 | GABRA1 (0.41) | — | |
| SCHEMBL3186176 | 0.63 | CYP3A4 (0.35) | — | |
| SCHEMBL9014962 | 0.59 | XDH (0.38) | — | |
| SCHEMBL14507710 | 0.59 | DUSP3 (0.45) | — | |
| SCHEMBL29105365 | 0.59 | GABRA1 (0.43) | — |
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-20200199058-A1 | SQUARYLIUM COMPOUNDS FOR USE IN DISPLAY DEVICES | NITTO DENKO CORPORATION (JP) | 2020-06-25 | — | — | US | disclosed |