⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4063659 | 0.90 | GRIN2D (0.38) | — | |
| SCHEMBL4058954 | 0.80 | — | — | |
| SCHEMBL4062011 | 0.80 | MEN1 (0.41) | — | |
| SCHEMBL4056082 | 0.78 | — | — | |
| SCHEMBL4063021 | 0.76 | — | — | |
| SCHEMBL31402574 | 0.74 | ESR1 (0.47) | — | |
| SCHEMBL4065177 | 0.73 | PYCR1 (0.30) | — | |
| SCHEMBL17042641 | 0.71 | PPARA (0.31) | — | |
| SCHEMBL4059468 | 0.71 | GRIN2D (0.37) | — | |
| SCHEMBL4057051 | 0.70 | 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 |