⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22315716 | 0.69 | APLNR (0.31) | — | |
| SCHEMBL22316960 | 0.69 | APLNR (0.31) | — | |
| SCHEMBL22995886 | 0.67 | KDM4E (0.42) | — | |
| SCHEMBL2080034 | 0.67 | CYP2D6 (0.40) | — | |
| SCHEMBL4537683 | 0.66 | CYP2D6 (0.35) | — | |
| SCHEMBL24083357 | 0.65 | — | — | |
| SCHEMBL22315709 | 0.64 | CYP2D6 (0.33) | — | |
| SCHEMBL13359076 | 0.64 | HDAC3 (0.36) | — | |
| SCHEMBL26084660 | 0.64 | CYP2D6 (0.33) | — | |
| SCHEMBL29004730 | 0.62 | CYP2D6 (0.37) | — |
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-3919498-A1 | PYRROLOPYRIMIDINE DERIVATIVE AND USE THEREOF | Wuhan Humanwell Innovative Drug Research and Development Center Limited Company (CN) | 2021-12-08 | — | — | EP | disclosed |