⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28834644 | 0.81 | — | — | |
| SCHEMBL20037509 | 0.76 | — | — | |
| SCHEMBL20037507 | 0.76 | — | — | |
| SCHEMBL6978615 | 0.74 | DRD2 (0.41) | — | |
| SCHEMBL5756194 | 0.74 | DRD2 (0.44) | — | |
| SCHEMBL1438136 | 0.73 | — | — | |
| SCHEMBL18399274 | 0.73 | DRD2 (0.43) | — | |
| SCHEMBL30373846 | 0.73 | — | — | |
| SCHEMBL8216855 | 0.73 | — | — | |
| SCHEMBL30373978 | 0.73 | — | — |
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-20180161329-A1 | PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF | TEIJIN PHARMA LIMITED (JP) | 2018-06-14 | — | — | US | disclosed |
| EP-3305785-A1 | PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF | Teijin Pharma Limited (JP) | 2018-04-11 | — | — | EP | disclosed |