⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22034671 | 1.00 | — | — | |
| SCHEMBL22034584 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL30016730 | 0.97 | — | — | |
| SCHEMBL3338548 | 0.85 | — | — | |
| SCHEMBL3333794 | 0.85 | — | — | |
| SCHEMBL2208713 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL4189693 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL30218172 | 0.83 | — | — | |
| SCHEMBL3257979 | 0.83 | — | — | |
| SCHEMBL17135433 | 0.83 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2215085-B1 | PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS | ASTRAZENECA AB (SE) | 2011-09-07 | — | — | EP | claimed |
| US-20220041641-A1 | QUATERNARY AMMONIUM SALTS AS INHIBITORS OF TRIMETHYLAMINE PRODUCTION | SENDA BIOSCIENCES INC (US) | 2022-02-10 | — | — | US | disclosed |