⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17562404 | 1.00 | — | — | |
| SCHEMBL61016 | 1.00 | — | — | |
| SCHEMBL60635 | 1.00 | — | — | |
| SCHEMBL14446340 | 1.00 | — | — | |
| SCHEMBL9926357 | 1.00 | — | — | |
| SCHEMBL14621567 | 0.89 | POLB (0.34) | — | |
| SCHEMBL9062787 | 0.84 | — | — | |
| SCHEMBL27888 | 0.84 | — | — | |
| SCHEMBL9681629 | 0.84 | — | — | |
| SCHEMBL9681638 | 0.84 | — | — |
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-20170247366-A1 | SUBSTITUTED 4-ALKOXYPICOLINAMIDE ANALOGS AS MGLUR5 NEGATIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING THE SAME | NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR | 2017-08-31 | — | — | US | disclosed |
| US-20170196862-A2 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2017-07-13 | — | — | US | disclosed |
| US-20120148502-A1 | Carbohydrate-Mediated Tumor Targeting | Arizona Board of Regents, a body corporate of the State of Ariz. acting for and on behalf of Ariz. (US) | 2012-06-14 | — | — | US | disclosed |