⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7240328 | 0.71 | — | — | |
| SCHEMBL7049118 | 0.67 | — | — | |
| SCHEMBL1141344 | 0.65 | — | — | |
| SCHEMBL8372248 | 0.62 | CYP1A2 (0.33) | — | |
| SCHEMBL18057093 | 0.60 | — | — | |
| SCHEMBL14573054 | 0.60 | — | — | |
| SCHEMBL790574 | 0.59 | — | — | |
| SCHEMBL18943024 | 0.59 | — | — | |
| SCHEMBL7106578 | 0.59 | — | — | |
| SCHEMBL13997256 | 0.57 | — | — |
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-2016023401-A1 | PHOSPHORUS-CONTAINING PYRIDO PYRIMIDONE COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PHARMACEUTICAL COMPOSITION AND USE THEREOF | 山东汇睿迪生物技术有限公司 | 2016-02-18 | — | — | WO | disclosed |