⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23718420 | 0.71 | TDP1 (0.38) | — | |
| SCHEMBL23718261 | 0.69 | HRH3 (0.37) | — | |
| SCHEMBL23571237 | 0.69 | CYP11B1 (0.33) | — | |
| SCHEMBL23571253 | 0.69 | CYP11B1 (0.33) | — | |
| SCHEMBL21361275 | 0.68 | GPR84 (0.35) | — | |
| SCHEMBL25587990 | 0.68 | MIF (0.38) | — | |
| SCHEMBL25620575 | 0.68 | NR3C1 (0.42) | — | |
| SCHEMBL11728106 | 0.68 | LIPG (0.34) | — | |
| SCHEMBL20794423 | 0.66 | TLR2 (0.49) | — | |
| SCHEMBL18844905 | 0.66 | TLR2 (0.49) | — |
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-3524608-B1 | NOVEL PYRIMIDINE DERIVATIVE COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION USING SAME | SPARK BIOPHARMA INC (KR) | 2020-12-30 | — | — | EP | disclosed |