⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12961199 | 0.79 | TRPA1 (0.34) | — | |
| SCHEMBL4724433 | 0.77 | ADRA2A (0.34) | — | |
| SCHEMBL28244518 | 0.76 | CHRNB4 (0.37) | — | |
| SCHEMBL30199806 | 0.76 | — | — | |
| SCHEMBL7659749 | 0.70 | MEN1 (0.34) | — | |
| SCHEMBL9573156 | 0.70 | HTR2A (0.38) | — | |
| SCHEMBL29991918 | 0.70 | HTR2A (0.38) | — | |
| SCHEMBL28271463 | 0.67 | — | — | |
| SCHEMBL30782257 | 0.66 | TRPA1 (0.45) | — | |
| SCHEMBL9572969 | 0.66 | ADRA2A (0.39) | — |
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-105153235-B | Phosphor material | 通用显示公司 | 2019-05-10 | — | — | CN | disclosed |