⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4173370 | 0.88 | CYP1A2 (0.48) | — | |
| SCHEMBL20369039 | 0.88 | CYP1A2 (0.48) | — | |
| SCHEMBL21467473 | 0.87 | KCNH2 (0.44) | — | |
| SCHEMBL9194314 | 0.85 | — | — | |
| SCHEMBL65244 | 0.85 | — | — | |
| SCHEMBL31264715 | 0.84 | CYP1A2 (0.41) | — | |
| SCHEMBL10646289 | 0.84 | KCNH2 (0.47) | — | |
| SCHEMBL1209795 | 0.82 | — | — | |
| SCHEMBL24693239 | 0.79 | — | — | |
| SCHEMBL19497014 | 0.79 | TSHR (0.42) | — |
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-20170355708-A1 | POTASSIUM CHANNEL MODULATORS | CADENT THERAPEUTICS, INC. | 2017-12-14 | — | — | US | disclosed |
| US-20140349992-A1 | COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF | SUNOVION PHARMACEUTICALS INC. (US) | 2014-11-27 | — | — | US | disclosed |
| US-8772301-B2 | Compounds for treating disorders mediated by metabotropic glutamate receptor 5, and methods of use thereof | SUNOVION PHARMACEUTICALS, INC. (US) | 2014-07-08 | — | — | US | disclosed |