⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6676507 | 0.77 | TDP1 (0.40) | — | |
| SCHEMBL24178856 | 0.76 | — | — | |
| SCHEMBL3071348 | 0.74 | — | — | |
| SCHEMBL24110821 | 0.74 | — | — | |
| SCHEMBL5100647 | 0.74 | — | — | |
| SCHEMBL6185829 | 0.74 | — | — | |
| SCHEMBL23882 | 0.73 | — | — | |
| SCHEMBL9155588 | 0.73 | MMP1 (0.43) | — | |
| SCHEMBL17754034 | 0.72 | — | — | |
| SCHEMBL13227782 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0786455-B1 | IMIDAZOLE DERIVATIVE | SHIONOGI & CO (JP) | 2003-12-03 | — | — | EP | claimed |
| US-10654834-B2 | Non-systemic TGR5 agonists | Venenum Biodesign, LLC (US) | 2020-05-19 | — | — | US | disclosed |
| US-20190330191-A1 | NOVEL NON-SYSTEMIC TGR5 AGONISTS | Venenum Biodesign, LLC (US) | 2019-10-31 | — | — | US | disclosed |
| WO-2017106253-A1 | CONFORMATIONALLY STRAINED TRANS-CYCLOALKENES FOR RADIOLABELING | FOX JOSEPH (US) | 2017-06-22 | — | — | WO | disclosed |
| WO-2007066496-A1 | BENZOYLUREA COMPOUND AND USE THEREOF | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2007-06-14 | — | — | WO | disclosed |