⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23975849 | 0.79 | USP2 (0.32) | — | |
| SCHEMBL23976200 | 0.77 | DRD2 (0.32) | — | |
| SCHEMBL23975828 | 0.66 | MEN1 (0.32) | — | |
| SCHEMBL30225288 | 0.62 | POLB (0.31) | — | |
| SCHEMBL23976187 | 0.62 | POLB (0.31) | — | |
| SCHEMBL512978 | 0.59 | UGT1A1 (0.34) | — | |
| SCHEMBL23986892 | 0.56 | USP2 (0.33) | — | |
| SCHEMBL22692095 | 0.56 | ACHE (0.45) | — | |
| SCHEMBL29466613 | 0.56 | ACHE (0.45) | — | |
| SCHEMBL30225189 | 0.55 | POLB (0.40) | — |
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-2021222483-A1 | METHODS OF USE FOR PYRIMIDINES AS FERROPORTIN INHIBITORS | GLOBAL BLOOD THERAPEUTICS, INC. (US) | 2021-11-04 | — | — | WO | disclosed |