⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4647791 | 0.73 | PTGS1 (0.35) | — | |
| SCHEMBL563500 | 0.73 | PTGS1 (0.35) | — | |
| SCHEMBL705263 | 0.73 | PTGS1 (0.35) | — | |
| SCHEMBL1074553 | 0.61 | PTGS1 (0.32) | — | |
| SCHEMBL3288566 | 0.61 | FFAR3 (0.36) | — | |
| SCHEMBL319895 | 0.59 | — | — | |
| SCHEMBL319894 | 0.59 | — | — | |
| SCHEMBL1525854 | 0.59 | — | — | |
| Perflunafene SCHEMBL7999746 | 0.59 | MEN1 (0.53) | — | |
| SCHEMBL26987562 | 0.59 | — | — |
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 |