⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27489359 | 1.00 | — | — | |
| SCHEMBL7245994 | 0.83 | TSHR (0.31) | — | |
| SCHEMBL7245993 | 0.83 | TSHR (0.31) | — | |
| SCHEMBL7245251 | 0.80 | — | — | |
| SCHEMBL7245851 | 0.78 | — | — | |
| SCHEMBL7244875 | 0.76 | — | — | |
| SCHEMBL7245242 | 0.73 | — | — | |
| SCHEMBL7245761 | 0.73 | — | — | |
| SCHEMBL27486914 | 0.73 | — | — | |
| SCHEMBL7246314 | 0.72 | — | — |
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-6576787-B1 | Hydroxymethyl-group-containing alicyclic compound and process for producing the same | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2003-06-10 | — | — | US | disclosed |
| EP-1070699-A1 | ALICYCLIC COMPOUNDS CONTAINING HYDROXYMETHYL GROUP, PROCESS FOR PRODUCING THE SAME, AND POLYMERIZABLE ALICYCLIC COMPOUND | Daicel Chemical Industries, Ltd. (JP) | 2001-01-24 | — | — | EP | disclosed |