⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20328451 | 0.84 | PDE4A (0.32) | — | |
| SCHEMBL20328434 | 0.74 | LIMK1 (0.34) | — | |
| SCHEMBL20328448 | 0.72 | ADORA2A (0.41) | — | |
| SCHEMBL21064481 | 0.71 | — | — | |
| SCHEMBL20328447 | 0.69 | MEN1 (0.42) | — | |
| SCHEMBL18950436 | 0.67 | PSD (0.34) | — | |
| SCHEMBL23996455 | 0.66 | RPS6KA5 (0.34) | — | |
| SCHEMBL19819643 | 0.65 | ALDH1A1 (0.34) | — | |
| SCHEMBL19504273 | 0.65 | MAPT (0.36) | — | |
| SCHEMBL20328432 | 0.65 | ADORA2A (0.37) | — |
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-10418567-B2 | Organic compound for organic EL device and using the same | LUMINESCENCE TECHNOLOGY CORP. (TW) | 2019-09-17 | — | — | US | disclosed |