⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1029937 | 0.71 | — | — | |
| SCHEMBL28084143 | 0.69 | — | — | |
| SCHEMBL2500155 | 0.69 | — | — | |
| SCHEMBL786962 | 0.69 | — | — | |
| SCHEMBL13144930 | 0.69 | — | — | |
| SCHEMBL1533401 | 0.67 | — | — | |
| SCHEMBL6741931 | 0.67 | — | — | |
| SCHEMBL8580263 | 0.64 | — | — | |
| SCHEMBL28010648 | 0.64 | — | — | |
| SCHEMBL22778278 | 0.63 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3344630-B1 | SUBSTITUTED 1,2-DIHYDRO-3H-PYRROLO[1,2-C]IMIDAZOL-3-ONE ANTIBACTERIAL COMPOUNDS | IDORSIA PHARMACEUTICALS LTD (CH) | 2020-12-09 | — | — | EP | disclosed |
| WO-2017198647-A1 | 6-(BUTA-1,3-DIYN-1-YL)BENZO[D]THIAZOLE DERIVATIVES | IDORSIA PHARMACEUTICALS LTD (CH) | 2017-11-23 | — | — | WO | disclosed |
| CN-104011040-B | 2 oxo, 1,3 dioxolanes, 4 Methanamide, Preparation Method And The Use | 建筑研究和技术有限公司 | 2017-03-15 | — | — | CN | disclosed |
| CN-104011040-B | 2 oxo, 1,3 dioxolanes, 4 Methanamide, Preparation Method And The Use | 建筑研究和技术有限公司 | 2017-03-15 | — | — | CN | disclosed |