⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15493963 | 0.67 | — | — | |
| SCHEMBL12020214 | 0.57 | — | — | |
| SCHEMBL17226953 | 0.54 | — | — | |
| SCHEMBL15172403 | 0.54 | — | — | |
| SCHEMBL18638561 | 0.54 | — | — | |
| SCHEMBL18833964 | 0.54 | — | — | |
| SCHEMBL17226962 | 0.54 | — | — | |
| SCHEMBL18743302 | 0.54 | — | — | |
| SCHEMBL31748302 | 0.53 | — | — | |
| SCHEMBL5365742 | 0.52 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3305785-A1 | PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF | Teijin Pharma Limited (JP) | 2018-04-11 | — | — | EP | disclosed |