⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL438674 | 0.81 | MAPK1 (0.39) | — | |
| SCHEMBL438804 | 0.74 | RORC (0.35) | — | |
| SCHEMBL14149409 | 0.72 | ALDH1A1 (0.30) | — | |
| SCHEMBL28861070 | 0.72 | ESR1 (0.35) | — | |
| SCHEMBL283048 | 0.71 | RORC (0.35) | — | |
| SCHEMBL16182145 | 0.71 | RORC (0.35) | — | |
| SCHEMBL9285749 | 0.70 | ALDH1A1 (0.42) | — | |
| SCHEMBL3201648 | 0.68 | CRHBP (0.43) | — | |
| SCHEMBL19265610 | 0.67 | HTR2C (0.38) | — | |
| SCHEMBL25060063 | 0.66 | PTGDR2 (0.35) | — |
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-2428512-A2 | Fluorene compound, light-emitting element, light-emitting device, electronic device and lighting device | SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) | 2012-03-14 | — | — | EP | disclosed |