⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4949052 | 0.73 | GSTP1 (0.35) | — | |
| SCHEMBL14520573 | 0.73 | — | — | |
| SCHEMBL14410706 | 0.54 | — | — | |
| SCHEMBL15424371 | 0.52 | — | — | |
| SCHEMBL11521417 | 0.52 | CNR1 (0.31) | — | |
| SCHEMBL1682673 | 0.50 | — | — | |
| SCHEMBL27604793 | 0.49 | MMP2 (0.53) | — | |
| SCHEMBL3531548 | 0.49 | GRIN1 (0.41) | — | |
| SCHEMBL28747959 | 0.48 | GRIN1 (0.40) | — | |
| SCHEMBL10576162 | 0.48 | EED (0.37) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2008127333-A | MANUFACTURING METHOD OF CAMPHORENYLCYCLOHEXENOL COMPOUND | KAO CORP | 2008-06-05 | — | — | JP | disclosed |