⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18400777 | 0.84 | NPSR1 (0.36) | — | |
| SCHEMBL14541290 | 0.82 | — | — | |
| SCHEMBL20019111 | 0.82 | NPSR1 (0.31) | — | |
| SCHEMBL22456971 | 0.80 | — | — | |
| SCHEMBL13304055 | 0.80 | — | — | |
| SCHEMBL20814556 | 0.80 | TRPM8 (0.38) | — | |
| SCHEMBL22665145 | 0.78 | — | — | |
| SCHEMBL13271324 | 0.78 | RELA (0.38) | — | |
| SCHEMBL16500988 | 0.78 | NPSR1 (0.34) | — | |
| SCHEMBL11932372 | 0.77 | TRPM8 (0.40) | — |
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-1412450-B1 | LIGHT-EMITTING DEVICE AND AROMATIC COMPOUND | FUJIFILM CORP (JP) | 2012-02-29 | — | — | EP | disclosed |