⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3852078 | 0.81 | — | — | |
| SCHEMBL3843945 | 0.73 | THRB (0.34) | — | |
| SCHEMBL8201724 | 0.73 | THRB (0.43) | — | |
| SCHEMBL21266399 | 0.70 | — | — | |
| SCHEMBL8202340 | 0.68 | THRB (0.48) | — | |
| SCHEMBL8201795 | 0.68 | TSHR (0.52) | — | |
| SCHEMBL5946541 | 0.68 | — | — | |
| SCHEMBL8201733 | 0.68 | THRB (0.48) | — | |
| SCHEMBL3849507 | 0.67 | — | — | |
| SCHEMBL1322253 | 0.66 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090148706-A1 | OPTICAL WAVEGUIDE HAVING PERFLUOROADAMANTANE STRUCTURE | OMRON CORPORATION (JP) | 2009-06-11 | — | — | US | disclosed |
| EP-2015113-A1 | OPTICAL WAVEGUIDE HAVING PERFLUOROADAMANTANE STRUCTURE | Omron Corporation (JP) | 2009-01-14 | — | — | EP | disclosed |