⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20249286 | 0.88 | CLK2 (0.32) | — | |
| SCHEMBL20249297 | 0.88 | CLK2 (0.40) | — | |
| SCHEMBL20249298 | 0.88 | CLK2 (0.40) | — | |
| SCHEMBL20249274 | 0.80 | SLC6A2 (0.37) | — | |
| SCHEMBL20037642 | 0.77 | SLC6A2 (0.32) | — | |
| SCHEMBL20249367 | 0.76 | CHRNB2 (0.32) | — | |
| SCHEMBL20249279 | 0.72 | CHRNB2 (0.41) | — | |
| SCHEMBL20249294 | 0.71 | EP300 (0.36) | — | |
| SCHEMBL20249277 | 0.70 | CHRNB2 (0.44) | — | |
| SCHEMBL18291289 | 0.69 | CLK2 (0.44) | — |
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 |
| US-20180161329-A1 | PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF | TEIJIN PHARMA LIMITED (JP) | 2018-06-14 | — | — | US | disclosed |