⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7099906 | 0.74 | — | — | |
| SCHEMBL6211832 | 0.72 | — | — | |
| SCHEMBL10529738 | 0.67 | APP (0.40) | — | |
| SCHEMBL356245 | 0.62 | — | — | |
| SCHEMBL2005605 | 0.59 | — | — | |
| SCHEMBL4022260 | 0.57 | ASIC3 (0.33) | — | |
| SCHEMBL5147974 | 0.57 | CYP3A4 (0.33) | — | |
| SCHEMBL28415699 | 0.56 | TPMT (0.40) | — | |
| SCHEMBL22034373 | 0.56 | CYP1A1 (0.46) | — | |
| SCHEMBL104811 | 0.55 | APP (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20160198747-A1 | 1H-PYRROLE-DICARBONYL-DERIVATIVES AND THEIR USE AS FLAVORING AGENTS | IMAX DISCOVERY GMBH (DE) | 2016-07-14 | — | — | US | disclosed |
| EP-3041370-A1 | 1H-PYRROLE-2,4-DICARBONYL-DERIVATIVES AND THEIR USE AS FLAVORING AGENTS | IMAX Discovery GmbH (DE) | 2016-07-13 | — | — | EP | disclosed |
| EP-3041370-A1 | 1H-PYRROLE-2,4-DICARBONYL-DERIVATIVES AND THEIR USE AS FLAVORING AGENTS | IMAX Discovery GmbH (DE) | 2016-07-13 | — | — | EP | disclosed |
| CN-105473002-A | 1H-PYRROLE-2,4-DICARBONYL-DERIVATIVES AND THEIR USE AS FLAVORING AGENTS | FRESENIUS KABI DE GMBH | 2016-04-06 | — | — | CN | disclosed |
| WO-2015014609-A1 | 1H-PYRROLE-2,4-DICARBONYL-DERIVATIVES AND THEIR USE AS FLAVORING AGENTS | IMAX DISCOVERY GMBH (DE) | 2015-02-05 | — | — | WO | disclosed |
| WO-2015014609-A1 | 1H-PYRROLE-2,4-DICARBONYL-DERIVATIVES AND THEIR USE AS FLAVORING AGENTS | IMAX DISCOVERY GMBH (DE) | 2015-02-05 | — | — | WO | disclosed |
| EP-2832233-A1 | 1H-pyrrole-2,4-dicarbonyl-derivatives and their use as flavoring agents | IMAX Discovery GmbH (DE) | 2015-02-04 | — | — | EP | disclosed |