⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9715318 | 0.76 | — | — | |
| SCHEMBL17641604 | 0.64 | EPHX1 (0.36) | — | |
| SCHEMBL25368931 | 0.55 | — | — | |
| SCHEMBL408779 | 0.50 | — | — | |
| SCHEMBL25402837 | 0.50 | — | — | |
| SCHEMBL16236817 | 0.50 | EPHX1 (0.32) | — | |
| SCHEMBL2807011 | 0.49 | — | — | |
| SCHEMBL2769165 | 0.49 | — | — | |
| SCHEMBL11283403 | 0.48 | — | — | |
| SCHEMBL15738175 | 0.48 | — | — |
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-2445900-B1 | POLYCYCLIC DERIVATIVES OF PYRIDINE AND THEIR USE IN THE TREATMENT OF (INTER ALIA) RHEUMATOID ARTHRITIS AND SIMILAR DISEASES | AMGEN INC (US) | 2016-03-02 | — | — | EP | disclosed |