⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31450428 | 0.93 | ALDH1A1 (0.43) | — | |
| SCHEMBL23730626 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL23703586 | 0.87 | — | — | |
| SCHEMBL15160716 | 0.84 | — | — | |
| SCHEMBL2154171 | 0.78 | ALDH1A1 (0.33) | — | |
| SCHEMBL2155471 | 0.76 | ALDH1A1 (0.38) | — | |
| SCHEMBL2887327 | 0.75 | — | — | |
| SCHEMBL13208309 | 0.75 | — | — | |
| SCHEMBL2888506 | 0.75 | — | — | |
| SCHEMBL4117794 | 0.74 | — | — |
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 |