⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12133555 | 0.75 | — | — | |
| SCHEMBL8256268 | 0.74 | — | — | |
| SCHEMBL13659889 | 0.74 | — | — | |
| SCHEMBL22892883 | 0.74 | — | — | |
| SCHEMBL17213770 | 0.74 | — | — | |
| SCHEMBL18638086 | 0.74 | — | — | |
| SCHEMBL18542029 | 0.74 | — | — | |
| SCHEMBL9574785 | 0.74 | — | — | |
| SCHEMBL24710892 | 0.70 | — | — | |
| SCHEMBL23287938 | 0.69 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019054944-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ISOPRENYLCYSTEINE CARBOXYL METHYLTRANSFERASE | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2019-03-21 | — | — | WO | disclosed |
| EP-2640722-B1 | PYRAZOLOPYRIDINES AND THEIR USE AS TYK2 INHIBITORS | HOFFMANN LA ROCHE (CH) | 2015-11-04 | — | — | EP | disclosed |
| WO-2009131173-A1 | 2-AMINOQUINAZOLINE DERIVATIVE | 協和発酵キリン株式会社 (JP) | 2009-10-29 | — | — | WO | disclosed |