⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24477454 | 0.78 | KAT2B (0.43) | — | |
| SCHEMBL12403216 | 0.76 | — | — | |
| SCHEMBL21779889 | 0.75 | HRH3 (0.30) | — | |
| SCHEMBL21263638 | 0.74 | — | — | |
| SCHEMBL14751821 | 0.74 | — | — | |
| SCHEMBL22646198 | 0.74 | — | — | |
| SCHEMBL22680905 | 0.74 | — | — | |
| SCHEMBL21423809 | 0.74 | ALDH1A1 (0.32) | — | |
| SCHEMBL15803259 | 0.74 | CYP2D6 (0.32) | — | |
| SCHEMBL24313390 | 0.72 | KDM1A (0.35) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210300947-A1 | NOVEL HETEROARYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE | HOFFMANN-LA ROCHE INC. (US) | 2021-09-30 | — | — | US | disclosed |
| WO-2019238629-A1 | PYRIDINYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE | F. HOFFMANN-LA ROCHE AG (CH) | 2019-12-19 | — | — | WO | disclosed |