⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28957819 | 0.67 | — | — | |
| SCHEMBL1932911 | 0.62 | — | — | |
| SCHEMBL3259425 | 0.62 | — | — | |
| SCHEMBL5912353 | 0.62 | — | — | |
| SCHEMBL245062 | 0.62 | — | — | |
| SCHEMBL4541905 | 0.62 | — | — | |
| Acrylic Acid SCHEMBL28194975 | 0.59 | — | — | |
| SCHEMBL2282171 | 0.59 | — | — | |
| SCHEMBL24390 | 0.59 | — | — | |
| SCHEMBL4752578 | 0.57 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2496559-B1 | ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE AND THEIR USE AS HSD 1 INHIBITORS | VITAE PHARMACEUTICALS INC (US) | 2018-01-10 | — | — | EP | claimed |
| EP-1391451-B1 | 2-IMINOPYRROLIDINE DERIVATES | EISAI R&D MAN CO LTD (JP) | 2011-11-23 | — | — | EP | claimed |
| EP-1031563-B1 | SULFONYL DERIVATIVES | DAIICHI SEIYAKU CO (JP) | 2005-12-28 | — | — | EP | claimed |
| EP-0303181-A2 | 1,2-Diamine compounds, process for their preparation as well as medicaments containing these compounds | Roche Diagnostics GmbH (DE) | 1989-02-15 | — | — | EP | claimed |
| EP-0303181-A3 | 1,2-DIAMINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AS WELL AS MEDICAMENTS CONTAINING THESE COMPOUNDS | Roche Diagnostics GmbH (DE) | 1991-09-04 | — | — | EP | disclosed |
| EP-0303181-A2 | 1,2-Diamine compounds, process for their preparation as well as medicaments containing these compounds | Roche Diagnostics GmbH (DE) | 1989-02-15 | — | — | EP | disclosed |
| EP-0303181-A2 | 1,2-Diamine compounds, process for their preparation as well as medicaments containing these compounds | Roche Diagnostics GmbH (DE) | 1989-02-15 | — | — | EP | disclosed |