⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28469423 | 0.87 | — | — | |
| SCHEMBL869807 | 0.81 | CHRM2 (0.33) | — | |
| SCHEMBL7062566 | 0.72 | TTR (0.33) | — | |
| SCHEMBL11525387 | 0.71 | CHRM2 (0.33) | — | |
| SCHEMBL28289855 | 0.69 | — | — | |
| SCHEMBL3372053 | 0.68 | LRRK2 (0.30) | — | |
| SCHEMBL6988548 | 0.67 | — | — | |
| SCHEMBL670442 | 0.67 | — | — | |
| SCHEMBL10455008 | 0.67 | — | — | |
| SCHEMBL12460113 | 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 |
|---|---|---|---|---|---|---|---|
| CN-109776551-B | Process for preparing dioxanoquinazoline derivatives | 北京工业大学 | 2020-11-03 | — | — | CN | disclosed |