⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7249579 | 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 |
|---|---|---|---|---|---|---|---|
| CN-1211333-C | Alicyclic compounds containing hydroxymethyl group, process for producing the same, and polymerizable alicyclic compound | DAICCL CHEMICAL IND LTD (JP) | 2005-07-20 | — | — | CN | disclosed |
| CN-1293649-A | Hydroxymethyl-containing alicyclic compound, process for producing the same, and polymerizable alicyclic compound | OAICAL CHEMIAL IND LTD (JP) | 2001-05-02 | — | — | CN | disclosed |