⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25465180 | 0.66 | — | — | |
| SCHEMBL22645000 | 0.64 | — | — | |
| SCHEMBL13851514 | 0.63 | — | — | |
| SCHEMBL15120335 | 0.63 | — | — | |
| SCHEMBL9701498 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL9701517 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL9700681 | 0.61 | — | — | |
| SCHEMBL25130478 | 0.60 | AGXT (0.39) | — | |
| SCHEMBL13959231 | 0.59 | — | — | |
| SCHEMBL13369567 | 0.58 | — | — |
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 |