⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL184647 | 0.74 | — | — | |
| SCHEMBL28683500 | 0.72 | — | — | |
| Formic Acid Methyl Ester SCHEMBL30880863 | 0.65 | — | — | |
| SCHEMBL45233 | 0.64 | — | — | |
| SCHEMBL11291232 | 0.60 | — | — | |
| Ammonia Solution, Strong SCHEMBL28163618 | 0.60 | — | — | |
| SCHEMBL28446190 | 0.60 | — | — | |
| SCHEMBL29284707 | 0.60 | — | — | |
| SCHEMBL20199418 | 0.60 | — | — | |
| SCHEMBL303729 | 0.60 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120083487-A1 | COMBINATION OF MORPHINAN COMPOUNDS AND ANTIDEPRESSANT FOR THE TREATMENT OF PSEUDOBULBAR AFFECT, NEUROLGICAL DISEASES, INTRACTABLE AND CHRONIC PAIN AND BRAIN INJURY | CONCERT PHARMACEUTICALS, INC. | 2012-04-05 | — | — | US | disclosed |