⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4534143 | 0.85 | — | — | |
| SCHEMBL15864297 | 0.84 | CA1 (0.40) | — | |
| SCHEMBL15870276 | 0.84 | CA1 (0.40) | — | |
| SCHEMBL4725865 | 0.81 | MTNR1A (0.33) | — | |
| SCHEMBL18209929 | 0.81 | MTNR1A (0.33) | — | |
| SCHEMBL23459762 | 0.78 | — | — | |
| SCHEMBL23460120 | 0.78 | — | — | |
| SCHEMBL16213071 | 0.78 | — | — | |
| SCHEMBL1863959 | 0.77 | BTN3A1 (0.33) | — | |
| SCHEMBL20556279 | 0.77 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2941427-B1 | NOVEL BENZODIOXANE-PIPERIDINE DERIVATIVES AND THERAPEUTIC USES THEREOF FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS | PF MEDICAMENT (FR) | 2016-11-09 | — | — | EP | disclosed |
| EP-2941427-A1 | NOVEL BENZODIOXANE-PIPERIDINE DERIVATIVES AND THERAPEUTIC USES THEREOF FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS | Pierre Fabre Médicament (FR) | 2015-11-11 | — | — | EP | disclosed |
| WO-2014106660-A1 | NOVEL BENZODIOXANE-PIPERIDINE DERIVATIVES AND THERAPEUTIC USES THEREOF FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS | PIERRE FABRE MEDICAMENT (FR) | 2014-07-10 | — | — | WO | disclosed |