⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8266084 | 0.67 | — | — | |
| SCHEMBL19202494 | 0.67 | — | — | |
| SCHEMBL1679515 | 0.67 | — | — | |
| SCHEMBL7323332 | 0.67 | — | — | |
| SCHEMBL9830453 | 0.64 | — | — | |
| SCHEMBL2754686 | 0.62 | — | — | |
| SCHEMBL21535783 | 0.62 | — | — | |
| SCHEMBL18322504 | 0.62 | — | — | |
| SCHEMBL3601925 | 0.62 | — | — | |
| SCHEMBL13674570 | 0.62 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3798214-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | Vertex Pharmaceuticals Incorporated (US) | 2021-03-31 | — | — | EP | disclosed |
| EP-0163238-B1 | SUBSTITUTED AND BRIDGED PYRIDINES USEFUL AS PHARMACEUTICAL AGENTS | MERCK & CO. INC. (US) | 1991-07-24 | — | — | EP | disclosed |
| US-4579851-A | HYPOTENSIVE, ANTIARRHYTHMIA AGENTS | MERCK & CO., INC. (US) | 1986-04-01 | — | — | US | disclosed |
| EP-0163238-A2 | Substituted and bridged pyridines useful as pharmaceutical agents | MERCK & CO. INC. (US) | 1985-12-04 | — | — | EP | disclosed |