⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL723753 | 1.00 | — | — | |
| SCHEMBL6914301 | 0.95 | — | — | |
| SCHEMBL28642398 | 0.74 | — | — | |
| SCHEMBL15295222 | 0.70 | — | — | |
| SCHEMBL31296260 | 0.70 | — | — | |
| SCHEMBL270261 | 0.70 | — | — | |
| SCHEMBL2813868 | 0.67 | — | — | |
| SCHEMBL28095 | 0.67 | — | — | |
| SCHEMBL17451025 | 0.67 | — | — | |
| SCHEMBL12056210 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016194831-A1 | PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF | 帝人ファーマ株式会社 | 2016-12-08 | — | — | WO | disclosed |