⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8960425 | 0.80 | — | — | |
| SCHEMBL8960429 | 0.80 | — | — | |
| SCHEMBL10534674 | 0.79 | — | — | |
| SCHEMBL22500965 | 0.75 | NAALAD2 (0.39) | — | |
| SCHEMBL22500966 | 0.75 | NAALAD2 (0.39) | — | |
| SCHEMBL1243865 | 0.72 | — | — | |
| SCHEMBL8960445 | 0.71 | — | — | |
| SCHEMBL8960442 | 0.71 | — | — | |
| SCHEMBL37771 | 0.71 | — | — | |
| SCHEMBL497732 | 0.69 | — | — |
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-1133621-C | Cyclohexanediole derivatives | ������ҩƷ�ɷֹ�˾ | 2004-01-07 | — | — | CN | disclosed |
| CN-1291974-A | Cyclohexanediol derivatives | HOFFMANN LA ROCHE (CH) | 2001-04-18 | — | — | CN | disclosed |