⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4055263 | 0.91 | — | — | |
| SCHEMBL4057917 | 0.86 | — | — | |
| SCHEMBL4055305 | 0.79 | — | — | |
| SCHEMBL4053677 | 0.79 | NPY1R (0.32) | — | |
| SCHEMBL4062978 | 0.78 | GRIN2D (0.33) | — | |
| SCHEMBL4054933 | 0.73 | MEN1 (0.38) | — | |
| SCHEMBL4065213 | 0.73 | — | — | |
| SCHEMBL4061723 | 0.72 | — | — | |
| SCHEMBL4063013 | 0.71 | — | — | |
| SCHEMBL4058954 | 0.67 | — | — |
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-20090030248-A1 | Ethynylphenylbiadamantane derivatives | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2009-01-29 | — | — | US | disclosed |
| EP-2014636-A1 | Ethynylphenylbiadamantane derivatives | Daicel Chemical Industries, Ltd. (JP) | 2009-01-14 | — | — | EP | disclosed |