⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL192453 | 0.70 | — | — | |
| SCHEMBL458540 | 0.69 | CYP11B1 (0.37) | — | |
| SCHEMBL28075808 | 0.67 | — | — | |
| SCHEMBL18668181 | 0.67 | — | — | |
| SCHEMBL15228923 | 0.67 | — | — | |
| SCHEMBL455489 | 0.66 | NPC1 (0.45) | — | |
| SCHEMBL15064217 | 0.66 | ALDH1A1 (0.37) | — | |
| SCHEMBL15278456 | 0.65 | — | — | |
| SCHEMBL15229265 | 0.64 | — | — | |
| SCHEMBL28256537 | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2014072903-A1 | NOVEL AMINOMETHYL-PHENOL DERIVATIVES AS ANTIMALARIAL AGENTS | ACTELION PHARMACEUTICALS LTD (CH) | 2014-05-15 | — | — | WO | disclosed |
| EP-1651234-B1 | COMBINATION OF MGLUR2 ANTAGONIST AND ACHE INHIBITOR FOR TREATMENT OF ACUTE AND/OR CHRONIC NEUROLOGICAL DISORDERS | HOFFMANN LA ROCHE (CH) | 2007-09-26 | — | — | EP | disclosed |
| US-7235547-B2 | Pharmaceutical composition comprising an AChE inhibitor and a mGluR2 antagonist | HOFFMANN-LA ROCHE INC. (US) | 2007-06-26 | — | — | US | disclosed |
| EP-1651234-A1 | COMBINATION OF MGLUR2 ANTAGONIST AND ACHE INHIBITOR FOR TREATMENT OF ACUTE AND/OR CHRONIC NEUROLOGICAL DISORDERS | F. HOFFMANN-LA ROCHE AG (CH) | 2006-05-03 | — | — | EP | disclosed |
| US-20050049243-A1 | Pharmaceutical composition comprising an AChE inhibitor and a mGluR2 antagonist | HOFFMANN-LA ROCHE INC. | 2005-03-03 | — | — | US | disclosed |
| WO-2005014002-A1 | COMBINATION OF MGLUR2 ANTAGONIST AND ACHE INHIBITOR FOR TREATMENT OF ACUTE AND/OR CHRONIC NEUROLOGICAL DISORDERS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-02-17 | — | — | WO | disclosed |