⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11069720 | 0.66 | — | — | |
| SCHEMBL7932089 | 0.56 | — | — | |
| Acetic Acid SCHEMBL657014 | 0.55 | HSD17B10 (0.32) | — | |
| SCHEMBL11117053 | 0.55 | — | — | |
| SCHEMBL16340528 | 0.53 | — | — | |
| SCHEMBL7157137 | 0.53 | ALDH1A1 (0.34) | — | |
| SCHEMBL8954049 | 0.52 | ALDH1A1 (0.31) | — | |
| SCHEMBL11443331 | 0.52 | CYP3A4 (0.31) | — | |
| SCHEMBL11124543 | 0.51 | — | — | |
| SCHEMBL11335010 | 0.49 | NPSR1 (0.33) | — |
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-3177612-B1 | OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES | NUEVOLUTION AS (DK) | 2022-02-23 | — | — | EP | disclosed |