⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3706204 | 0.88 | — | — | |
| SCHEMBL3036614 | 0.81 | — | — | |
| SCHEMBL13599452 | 0.81 | — | — | |
| SCHEMBL16712766 | 0.81 | — | — | |
| SCHEMBL8372777 | 0.81 | — | — | |
| SCHEMBL6719975 | 0.81 | — | — | |
| SCHEMBL21719094 | 0.77 | — | — | |
| SCHEMBL16712851 | 0.77 | SELE (0.32) | — | |
| SCHEMBL28496069 | 0.77 | PDPK1 (0.38) | — | |
| SCHEMBL10519845 | 0.76 | ENPP3 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2913325-B1 | SUBSTITUTED PYRIMIDINE COMPOUND AND USES THEREOF | SHENYANG SINOCHEM AGROCHEMICALS R & D CO LTD (CN) | 2021-04-21 | — | — | EP | disclosed |
| WO-2015068773-A1 | NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND | 石原産業株式会社 | 2015-05-14 | — | — | WO | disclosed |
| US-20100022559-A1 | BISOXIMES AS FUNGICIDES | BAYER CROPSCIENCE AG (DE) | 2010-01-28 | — | — | US | disclosed |