⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14108539 | 0.77 | — | — | |
| SCHEMBL13931091 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL4695420 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL4689212 | 0.76 | — | — | |
| SCHEMBL14108540 | 0.74 | — | — | |
| SCHEMBL4693816 | 0.71 | — | — | |
| SCHEMBL16914263 | 0.70 | NAMPT (0.33) | — | |
| SCHEMBL21287243 | 0.70 | — | — | |
| Water SCHEMBL8832205 | 0.70 | — | — | |
| SCHEMBL15545078 | 0.64 | — | — |
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-20230219946-A1 | PYRIMIDIN-4(3H)-ONE HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL USE THEREOF | BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) | 2023-07-13 | — | — | US | disclosed |