⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL505275 | 0.80 | — | — | |
| SCHEMBL503315 | 0.77 | CHRM5 (0.37) | — | |
| SCHEMBL504674 | 0.67 | PNMT (0.32) | — | |
| SCHEMBL8352174 | 0.67 | — | — | |
| SCHEMBL1155690 | 0.63 | — | — | |
| SCHEMBL505250 | 0.63 | TAAR1 (0.31) | — | |
| SCHEMBL20936645 | 0.62 | — | — | |
| SCHEMBL846820 | 0.62 | — | — | |
| SCHEMBL30043346 | 0.60 | — | — | |
| SCHEMBL24151832 | 0.59 | ALDH1A1 (0.34) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11673888-B2 | Bicyclic compounds as ATX inhibitors | HOFFMANN-LA ROCHE INC. (US) | 2023-06-13 | — | — | US | disclosed |
| EP-3252059-A1 | ANTI-PULMONARY TUBERCULOSIS NITROIMIDAZOLE DERIVATIVE | Medshine Discovery Inc. (CN) | 2017-12-06 | — | — | EP | disclosed |
| 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 |
| US-20120029190-A1 | COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF | SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) | 2012-02-02 | — | — | US | disclosed |