⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19301240 | 1.00 | — | — | |
| SCHEMBL20411923 | 1.00 | — | — | |
| SCHEMBL5655258 | 1.00 | — | — | |
| SCHEMBL20411943 | 1.00 | — | — | |
| SCHEMBL8230165 | 1.00 | — | — | |
| SCHEMBL26475230 | 1.00 | — | — | |
| SCHEMBL12899464 | 1.00 | — | — | |
| SCHEMBL18743291 | 1.00 | — | — | |
| Water SCHEMBL28198996 | 0.97 | — | — | |
| Methyl Alcohol SCHEMBL28200637 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3638665-B1 | HERBICIDAL 3-PHENYLISOXAZOLINE-5-CARBOXAMIDES OF TETRAHYDRO AND DIHYDROFURAN CARBOXYLIC ACIDS AND ESTERS | BAYER AG (DE) | 2021-07-21 | — | — | EP | disclosed |
| 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 |