⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15865300 | 1.00 | — | — | |
| SCHEMBL17272739 | 0.88 | — | — | |
| SCHEMBL17272737 | 0.88 | — | — | |
| SCHEMBL15865463 | 0.85 | ADRA2A (0.57) | — | |
| SCHEMBL15865464 | 0.85 | ADRA2A (0.57) | — | |
| SCHEMBL15864825 | 0.82 | ADRA2A (0.61) | — | |
| SCHEMBL15864823 | 0.82 | ADRA2A (0.61) | — | |
| SCHEMBL15865277 | 0.76 | — | — | |
| SCHEMBL15865276 | 0.76 | — | — | |
| SCHEMBL5564673 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20150336943-A1 | NOVEL BENZODIOXANE-PIPERIDINE DERIVATIVES AND THEIR THERAPEUTIC APPLICATIONS FOR TREATING NEUROPSYCHIATRIC DISORDERS | PIERRE FABRE MEDICAMENT (FR) | 2015-11-26 | — | — | US | 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 |