⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4630146 | 0.73 | — | — | |
| SCHEMBL3240887 | 0.73 | — | — | |
| SCHEMBL1569716 | 0.73 | — | — | |
| SCHEMBL4630538 | 0.71 | ALDH1A1 (0.34) | — | |
| SCHEMBL4755146 | 0.69 | PDE4B (0.33) | — | |
| SCHEMBL8405492 | 0.68 | DRD2 (0.37) | — | |
| SCHEMBL2639869 | 0.67 | ALDH1A1 (0.38) | — | |
| SCHEMBL4756923 | 0.67 | TSHR (0.45) | — | |
| SCHEMBL1463879 | 0.67 | EPHX2 (0.33) | — | |
| SCHEMBL8406638 | 0.66 | DRD2 (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20090270390-A1 | PYRIMIDINE DERIVATIVES | ASTRAZENECA (SE) | 2009-10-29 | — | — | US | disclosed |