⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6827946 | 0.63 | — | — | |
| SCHEMBL2076907 | 0.61 | — | — | |
| SCHEMBL550243 | 0.53 | — | — | |
| SCHEMBL3595486 | 0.51 | — | — | |
| SCHEMBL6448533 | 0.46 | — | — | |
| SCHEMBL10375163 | 0.42 | — | — | |
| SCHEMBL12992748 | 0.36 | — | — | |
| SCHEMBL10784011 | 0.33 | — | — | |
| SCHEMBL25230433 | 0.28 | — | — | |
| Hydrochloric Acid SCHEMBL553592 | 0.28 | — | — |
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-2611298-A1 | BICYCLIC OXAZOLE AND THIAZOLE COMPOUNDS AND THEIR USE AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS | Vanderbilt University (US) | 2013-07-10 | — | — | EP | disclosed |
| WO-2012031024-A1 | BICYCLIC OXAZOLE AND THIAZOLE COMPOUNDS AND THEIR USE AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS | VANDERBILT UNIVERSITY (US) | 2012-03-08 | — | — | WO | disclosed |
| EP-1104754-A1 | NOVEL SULFONYL DERIVATIVES | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2001-06-06 | — | — | EP | disclosed |