⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20127238 | 0.83 | PTGS1 (0.33) | — | |
| SCHEMBL682824 | 0.72 | ALDH1A1 (0.39) | — | |
| SCHEMBL25146229 | 0.71 | — | — | |
| SCHEMBL9571642 | 0.70 | FFAR4 (0.30) | — | |
| SCHEMBL15957311 | 0.68 | — | — | |
| SCHEMBL15957309 | 0.67 | — | — | |
| SCHEMBL278649 | 0.67 | LMNA (0.46) | — | |
| SCHEMBL9571423 | 0.67 | CYP26A1 (0.34) | — | |
| SCHEMBL8736921 | 0.66 | — | — | |
| SCHEMBL6314822 | 0.66 | PTGS1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20190177332-A1 | CONDENSED-RING PYRIMIDYLAMINO DERIVATIVE, PREPARATION METHOD THEREFOR, AND INTERMEDIATE, PHARMACEUTICAL COMPOSITION AND APPLICATIONS THEREOF | GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD. (CN) | 2019-06-13 | — | — | US | disclosed |