⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8639606 | 1.00 | — | — | |
| SCHEMBL8640668 | 1.00 | — | — | |
| SCHEMBL8734101 | 0.80 | GRM2 (0.35) | — | |
| SCHEMBL6944495 | 0.78 | GRM2 (0.44) | — | |
| SCHEMBL353161 | 0.78 | GRM2 (0.44) | — | |
| SCHEMBL6944486 | 0.78 | GRM2 (0.44) | — | |
| SCHEMBL9134965 | 0.78 | GRM2 (0.44) | — | |
| SCHEMBL353162 | 0.78 | GRM2 (0.44) | — | |
| SCHEMBL151899 | 0.78 | GRM2 (0.44) | — | |
| SCHEMBL8642639 | 0.76 | — | — |
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-0656339-B1 | Process for the production of cyclohexanedimethanol, with preponderance of the trans-isomer | EASTMAN CHEM CO (US) | 1998-04-22 | — | — | EP | claimed |