⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8566502 | 1.00 | — | — | |
| SCHEMBL3695305 | 1.00 | — | — | |
| SCHEMBL17818912 | 0.93 | CYP2C19 (0.32) | — | |
| SCHEMBL16112114 | 0.86 | — | — | |
| SCHEMBL3227341 | 0.79 | CYP1A2 (0.31) | — | |
| SCHEMBL22081796 | 0.77 | — | — | |
| SCHEMBL22081801 | 0.77 | — | — | |
| SCHEMBL22081100 | 0.77 | — | — | |
| SCHEMBL2832691 | 0.73 | LMNA (0.33) | — | |
| SCHEMBL7130222 | 0.73 | LMNA (0.33) | — |
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-0722437-B1 | CYCLOALKANEDIOLS AND THEIR USE IN PREPARING CHIRAL COMPOUNDS | CHIROTECH TECHNOLOGY LTD (GB) | 1999-08-25 | — | — | EP | disclosed |