⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9347801 | 1.00 | — | — | |
| SCHEMBL9347810 | 1.00 | — | — | |
| SCHEMBL12204169 | 0.67 | — | — | |
| SCHEMBL6101798 | 0.61 | — | — | |
| SCHEMBL2632693 | 0.61 | — | — | |
| SCHEMBL172436 | 0.61 | — | — | |
| SCHEMBL6260802 | 0.61 | — | — | |
| SCHEMBL8642239 | 0.61 | — | — | |
| SCHEMBL9313196 | 0.60 | — | — | |
| SCHEMBL9313192 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0400779-B1 | Biological production of novel cyclohexadienediols | MINNESOTA MINING & MFG (US) | 1994-08-17 | — | — | EP | claimed |