⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11798054 | 0.77 | — | — | |
| Benzene SCHEMBL27359414 | 0.77 | TSHR (0.60) | — | |
| SCHEMBL393607 | 0.77 | — | — | |
| SCHEMBL5311581 | 0.75 | TSHR (1.00) | — | |
| SCHEMBL27380 | 0.75 | TSHR (1.00) | — | |
| SCHEMBL177923 | 0.75 | TSHR (0.67) | — | |
| Benzene SCHEMBL27997624 | 0.75 | TSHR (1.00) | — | |
| SCHEMBL723193 | 0.74 | TSHR (0.57) | — | |
| Methane SCHEMBL11192510 | 0.73 | TSHR (0.94) | — | |
| SCHEMBL10317949 | 0.73 | TSHR (0.94) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6573367-B1 | Preparation using benzyloxycarbonyl chloride, sodium hydrogen carbonate and benzene; methylation, hydrogenolysis | PLIVA, FARMACEUTSKA INDUSTRIJA, DIONICKO DRUSTVO (HR) | 2003-06-03 | — | — | US | claimed |
| EP-3110799-A1 | HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL | Epirus Biopharmaceuticals, Inc. (US) | 2017-01-04 | — | — | EP | disclosed |
| WO-2015127549-A1 | HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL | PAJOUHESH HASSAN (CA) | 2015-09-03 | — | — | WO | disclosed |
| WO-2012033956-A1 | COGNITION ENHANCING COMPOUNDS AND COMPOSITIONS, METHODS OF MAKING, AND METHODS OF TREATING | MITHRIDION, INC. (US) | 2012-03-15 | — | — | WO | disclosed |
| EP-0800528-A1 | PEPTIDE AND PEPTIDE ANALOG PROTEASE INHIBITORS | Sibia Neurosciences, Inc. (US) | 1997-10-15 | — | — | EP | disclosed |
| WO-1996020949-A1 | PEPTIDE AND PEPTIDE ANALOG PROTEASE INHIBITORS | SIBIA NEUROSCIENCES, INC. (US) | 1996-07-11 | — | — | WO | disclosed |