⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4453454 | 0.78 | — | — | |
| SCHEMBL5667703 | 0.78 | — | — | |
| SCHEMBL4449628 | 0.77 | — | — | |
| SCHEMBL4447919 | 0.75 | — | — | |
| SCHEMBL1886535 | 0.70 | — | — | |
| SCHEMBL1884239 | 0.67 | — | — | |
| SCHEMBL1890059 | 0.67 | — | — | |
| SCHEMBL4607891 | 0.65 | — | — | |
| SCHEMBL1888361 | 0.65 | — | — | |
| SCHEMBL4453451 | 0.63 | — | — |
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-20090099326-A1 | FLUORINE-CONTAINING ADAMANTANE DERIVATIVE, FLUORINE-CONTAINING ADAMANTANE DERIVATIVE HAVING POLYMERIZABLE GROUP, RESIN COMPOSITION CONTAINING THE SAME, AND ANTIREFLECTION FILM | IDEMITSU KOSAN CO., LTD. (JP) | 2009-04-16 | — | — | US | disclosed |
| EP-2014639-A1 | FLUORINE-CONTAINING ADAMANTANE DERIVATIVE, FLUORINE-CONTAINING ADAMANTANE DERIVATIVE HAVING POLYMERIZABLE GROUP, RESIN COMPOSITION CONTAINING THE SAME, AND ANTIREFLECTION FILM | Idemitsu Kosan Co., Ltd. (JP) | 2009-01-14 | — | — | EP | disclosed |