⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22443407 | 0.79 | FKBP1A (0.33) | — | |
| SCHEMBL22443408 | 0.79 | FKBP1A (0.33) | — | |
| SCHEMBL22443492 | 0.79 | FKBP1A (0.33) | — | |
| SCHEMBL22028872 | 0.78 | — | — | |
| SCHEMBL22028870 | 0.78 | — | — | |
| SCHEMBL24433847 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL22452856 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL28662232 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL22443549 | 0.75 | TOP2A (0.37) | — | |
| SCHEMBL22443401 | 0.75 | TOP2A (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 |
|---|---|---|---|---|---|---|---|
| WO-2020188301-A1 | HETEROCYCLYL(PHENYL)METHANOL COMPOUNDS USEFUL IN THE TREATMENT OF HYPERGLYCAEMIA | ATROGI AB (SE) | 2020-09-24 | — | — | WO | disclosed |