⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14145715 | 1.00 | — | — | |
| SCHEMBL21204046 | 0.78 | — | — | |
| SCHEMBL23892235 | 0.78 | TRPA1 (0.35) | — | |
| SCHEMBL20061654 | 0.75 | TRPA1 (0.32) | — | |
| SCHEMBL13451689 | 0.75 | TRPA1 (0.32) | — | |
| SCHEMBL19312283 | 0.73 | — | — | |
| SCHEMBL29313714 | 0.73 | TRPA1 (0.31) | — | |
| SCHEMBL24081277 | 0.73 | TRPA1 (0.31) | — | |
| SCHEMBL216275 | 0.73 | — | — | |
| SCHEMBL216276 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1542962-B1 | Monoaminofluorene compound and organic light-emitting device using the same | CANON KK (JP) | 2013-03-13 | — | — | EP | disclosed |