⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21733592 | 0.97 | KDM1A (0.52) | — | |
| SCHEMBL5802301 | 0.87 | KDM1A (0.62) | — | |
| SCHEMBL22756216 | 0.87 | KDM1A (0.67) | — | |
| SCHEMBL31294 | 0.85 | — | — | |
| SCHEMBL368094 | 0.85 | ADRB2 (0.35) | — | |
| SCHEMBL8637555 | 0.84 | KDM1A (0.78) | — | |
| SCHEMBL8637561 | 0.84 | KDM1A (0.78) | — | |
| Ammonia Solution, Strong SCHEMBL8509150 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL3187075 | 0.82 | — | — | |
| Diethylamine SCHEMBL27842865 | 0.82 | TP53 (0.50) | — |
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 |