⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7246888 | 0.87 | CYP1A2 (0.33) | — | |
| SCHEMBL7246957 | 0.87 | CYP1A2 (0.33) | — | |
| SCHEMBL4418667 | 0.83 | CYP1A2 (0.30) | — | |
| SCHEMBL7246481 | 0.83 | ALDH1A1 (0.32) | — | |
| SCHEMBL7250241 | 0.82 | GBA1 (0.34) | — | |
| Ethane SCHEMBL28275737 | 0.78 | ALDH1A1 (0.39) | — | |
| SCHEMBL15454179 | 0.78 | ALDH1A1 (0.44) | — | |
| SCHEMBL29885718 | 0.78 | ALDH1A1 (0.44) | — | |
| SCHEMBL29886257 | 0.78 | ALDH1A1 (0.44) | — | |
| SCHEMBL375061 | 0.78 | ALDH1A1 (0.44) | — |
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 |