⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17664699 | 0.82 | — | — | |
| SCHEMBL21256206 | 0.77 | — | — | |
| SCHEMBL21392929 | 0.72 | — | — | |
| SCHEMBL325100 | 0.69 | — | — | |
| SCHEMBL194139 | 0.67 | — | — | |
| Water SCHEMBL10717161 | 0.64 | — | — | |
| SCHEMBL21116421 | 0.64 | — | — | |
| Iodide SCHEMBL27951208 | 0.64 | — | — | |
| SCHEMBL8024208 | 0.64 | — | — | |
| Bromide SCHEMBL27564189 | 0.64 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022035763-A1 | BORON CONTAINING COMPOUNDS AND THEIR USES | 5METIS, INC. (US) | 2022-02-17 | — | — | WO | disclosed |
| US-9290515-B2 | Cephem derivative having catechol group | SHIONOGI & CO., LTD (JP) | 2016-03-22 | — | — | US | disclosed |
| US-9085589-B2 | Cephem derivative | SHIONOGI & CO., LTD. (JP) | 2015-07-21 | — | — | US | disclosed |
| US-20140256697-A1 | CEPHEM DERIVATIVE HAVING CATECHOL GROUP | SHIONOGI & CO., LTD. (JP) | 2014-09-11 | — | — | US | disclosed |
| US-20130096299-A1 | NOVEL CEPHEM DERIVATIVE | SHIONOGI & CO., LTD. (JP) | 2013-04-18 | — | — | US | disclosed |
| US-8198299-B2 | Cycloalkylidene and heterocycloalkylidene inhibitor compounds | GILEAD SCIENCES, INC. (US) | 2012-06-12 | — | — | US | disclosed |
| US-20120045412-A1 | CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2012-02-23 | — | — | US | disclosed |
| US-8088771-B2 | Cycloalkylidene and heterocycloalkylidene inhibitor compounds | GILEAD SCIENCES, INC. (US) | 2012-01-03 | — | — | US | disclosed |
| EP-2326622-A1 | CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE HISTONE DEACETYLASE INHIBITOR COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2011-06-01 | — | — | EP | disclosed |
| WO-2010014611-A1 | CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE HISTONE DEACETYLASE INHIBITOR COMPOUNDS | GILEAD COLORADO, INC. (US) | 2010-02-04 | — | — | WO | disclosed |
| US-20100022543-A1 | CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS | GILEAD SCIENCES, INC. | 2010-01-28 | — | — | US | disclosed |