⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8808873 | 0.97 | — | — | |
| Acetic Acid SCHEMBL15643318 | 0.87 | — | — | |
| SCHEMBL23683061 | 0.71 | — | — | |
| SCHEMBL6854231 | 0.71 | — | — | |
| SCHEMBL6472811 | 0.67 | — | — | |
| SCHEMBL6477430 | 0.67 | — | — | |
| SCHEMBL31290747 | 0.67 | — | — | |
| SCHEMBL20686839 | 0.67 | — | — | |
| SCHEMBL21653646 | 0.67 | — | — | |
| SCHEMBL2004047 | 0.65 | ARG1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20140113824-A1 | BICYCLIC (THIO)CARBONYLAMIDINES | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2014-04-24 | — | — | US | disclosed |
| EP-2707373-A1 | BICYCLIC (THIO)CARBONYLAMIDINES | Bayer Intellectual Property GmbH (DE) | 2014-03-19 | — | — | EP | disclosed |
| WO-2012152741-A1 | BICYCLIC (THIO)CARBONYLAMIDINES | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2012-11-15 | — | — | WO | disclosed |