⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2168948 | 0.89 | — | — | |
| SCHEMBL10957716 | 0.83 | — | — | |
| SCHEMBL10961403 | 0.80 | — | — | |
| SCHEMBL8668976 | 0.80 | — | — | |
| SCHEMBL17641593 | 0.80 | — | — | |
| SCHEMBL3425274 | 0.78 | — | — | |
| SCHEMBL2749023 | 0.78 | — | — | |
| SCHEMBL5922482 | 0.78 | — | — | |
| SCHEMBL5210273 | 0.78 | — | — | |
| SCHEMBL336316 | 0.77 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| US-9115102-B2 | N-[2-hydroxycarbamoyl-2-(piperazinyl) ethyl] benzamide compounds, their preparation and their use as TACE inhibitors | GALDERMA RESEARCH & DEVELOPMENT (FR) | 2015-08-25 | — | — | US | disclosed |
| EP-2477968-B1 | N-[2-HYDROXYCARBAMOYL-2-(PIPERAZINYL)ETHYL]BENZAMIDE COMPOUNDS, THEIR PREPARATION AND THEIR USE AS TACE INHIBITORS | GALDERMA RES & DEV (FR) | 2013-10-23 | — | — | EP | disclosed |
| US-20120178934-A1 | N- [2-HYDROXYCARBAMOYL-2- (PIPERAZINYL) ETHYL] BENZAMIDE COMPOUNDS, THEIR PREPARATION AND THEIR USE AS TACE INHIBITORS | GALDERMA RESEARCH & DEVELOPMENT (FR) | 2012-07-12 | — | — | US | disclosed |
| WO-2011033009-A1 | N- [2-HYDROXYCARBAMOYL-2- (PIPERAZINYL) ETHYL] BENZAMIDE COMPOUNDS, THEIR PREPARATION AND THEIR USE AS TACE INHIBITORS | GALDERMA RESEARCH & DEVELOPMENT (FR) | 2011-03-24 | — | — | WO | disclosed |