⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1490903 | 0.72 | — | — | |
| SCHEMBL10679301 | 0.70 | CYP1A2 (0.30) | — | |
| SCHEMBL8568973 | 0.67 | — | — | |
| SCHEMBL6741855 | 0.67 | — | — | |
| SCHEMBL4055386 | 0.65 | — | — | |
| SCHEMBL455314 | 0.65 | — | — | |
| SCHEMBL456135 | 0.65 | — | — | |
| SCHEMBL3391555 | 0.62 | — | — | |
| SCHEMBL3393679 | 0.62 | — | — | |
| SCHEMBL15064105 | 0.61 | — | — |
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 |