⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4055305 | 0.90 | — | — | |
| SCHEMBL4057097 | 0.88 | MEN1 (0.42) | — | |
| SCHEMBL4061362 | 0.85 | GRIN2D (0.39) | — | |
| SCHEMBL4055263 | 0.83 | — | — | |
| SCHEMBL4061723 | 0.81 | — | — | |
| SCHEMBL4054933 | 0.76 | MEN1 (0.38) | — | |
| SCHEMBL4063021 | 0.75 | — | — | |
| SCHEMBL4056661 | 0.74 | GRIN2D (0.32) | — | |
| SCHEMBL4059468 | 0.72 | GRIN2D (0.37) | — | |
| SCHEMBL4057051 | 0.72 | MEN1 (0.46) | — |
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 |