⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7460470 | 0.80 | — | — | |
| SCHEMBL6744825 | 0.74 | PKM (0.40) | — | |
| SCHEMBL7461807 | 0.74 | — | — | |
| SCHEMBL7455936 | 0.72 | — | — | |
| SCHEMBL7455886 | 0.70 | GRM1 (0.35) | — | |
| SCHEMBL7460167 | 0.69 | — | — | |
| SCHEMBL25450613 | 0.68 | — | — | |
| SCHEMBL7448846 | 0.67 | GRIN2D (0.34) | — | |
| SCHEMBL7456259 | 0.67 | — | — | |
| SCHEMBL5969137 | 0.65 | SLC22A2 (0.38) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20020016516-A1 | Hydrocarbon bonded to a carbon atom which is bonded to a hydroxyl group, a methane group, and an adamantane ring; or its protected derivatives; alcohol intermediates for acrylic ester monomers for hydrophilic, adhesive photoresists | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2002-02-07 | — | — | US | disclosed |
| US-6344590-B1 | HYDROCARBON BONDED TO A CARBON ATOM WHICH IS BONDED TO A HYDROXYL GROUP, A METHANE GROUP, AND AN ADAMANTANE RING; OR ITS PROTECTED DERIVATIVES; ALCOHOL INTERMEDIATES FOR ACRYLIC ESTER MONOMERS FOR HYDROPHILIC, ADHESIVE PHOTORESISTS | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2002-02-05 | — | — | US | disclosed |
| EP-0990632-A1 | ADAMANTANEMETHANOL DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF | Daicel Chemical Industries, Ltd. (JP) | 2000-04-05 | — | — | EP | disclosed |