⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6548173 | 0.69 | TLR4 (0.30) | — | |
| SCHEMBL8004969 | 0.61 | — | — | |
| SCHEMBL2467573 | 0.61 | — | — | |
| SCHEMBL7527506 | 0.57 | — | — | |
| SCHEMBL768641 | 0.57 | — | — | |
| SCHEMBL5793742 | 0.57 | — | — | |
| SCHEMBL1943626 | 0.55 | CYP2C19 (0.37) | — | |
| SCHEMBL29519332 | 0.55 | — | — | |
| SCHEMBL2897989 | 0.54 | MCL1 (0.51) | — | |
| SCHEMBL7919234 | 0.54 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-10196337-B2 | Processes for the preparation of hydroxylated cyclohexyl compounds | BROCK UNIVERSITY (CA) | 2019-02-05 | — | — | US | disclosed |
| US-20170253550-A1 | PROCESSES FOR THE PREPARATION OF HYDROXYLATED CYCLOHEXYL COMPOUNDS | BROCK UNIVERSITY (CA) | 2017-09-07 | — | — | US | disclosed |