⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1924283 | 1.00 | — | — | |
| SCHEMBL15171201 | 1.00 | — | — | |
| Fluoride Ion SCHEMBL14121911 | 0.97 | GABRR1 (0.55) | — | |
| Fluoride Ion SCHEMBL14121503 | 0.95 | GABRR1 (0.52) | — | |
| SCHEMBL24481141 | 0.78 | — | — | |
| SCHEMBL16964958 | 0.78 | — | — | |
| SCHEMBL21238201 | 0.74 | GABRR1 (0.48) | — | |
| SCHEMBL853183 | 0.74 | GABRR1 (0.48) | — | |
| SCHEMBL11260859 | 0.74 | — | — | |
| SCHEMBL26565375 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120122874-A1 | COMBINATION OF A SEDATIVE AND A NEUROTRANSMITTER MODULATOR, AND METHODS FOR TREATING DEPRESSION | Sunovion Inc. (US) | 2012-05-17 | — | — | US | disclosed |
| EP-0810876-B1 | INFLUENZA VIRUS SUBUNIT CONJUGATES | AVENTIS PASTEUR INC (US) | 2008-05-07 | — | — | EP | disclosed |