⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2244194 | 1.00 | — | — | |
| SCHEMBL15273015 | 0.82 | — | — | |
| SCHEMBL1425396 | 0.79 | — | — | |
| SCHEMBL2113163 | 0.79 | — | — | |
| SCHEMBL20748212 | 0.79 | — | — | |
| SCHEMBL31727565 | 0.71 | — | — | |
| SCHEMBL22823872 | 0.71 | — | — | |
| SCHEMBL231562 | 0.71 | — | — | |
| SCHEMBL1540946 | 0.71 | — | — | |
| SCHEMBL13719072 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015028989-A1 | NOVEL HETEROCYCLIC COMPOUNDS AS ANTIMALARIAL AGENTS | ACTELION PHARMACEUTICALS LTD (CH) | 2015-03-05 | — | — | WO | claimed |
| WO-2015028989-A1 | NOVEL HETEROCYCLIC COMPOUNDS AS ANTIMALARIAL AGENTS | ACTELION PHARMACEUTICALS LTD (CH) | 2015-03-05 | — | — | WO | disclosed |
| US-7504432-B2 | Ester derivatives | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2009-03-17 | — | — | US | disclosed |
| US-20070129397-A1 | Ester derivatives | MSD K.K. (JP) | 2007-06-07 | — | — | US | disclosed |
| US-7192969-B2 | Ester derivatives | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2007-03-20 | — | — | US | disclosed |
| US-20050065211-A1 | Ester derivatives | MSD K.K. (JP) | 2005-03-24 | — | — | US | disclosed |
| EP-1302458-A1 | ESTER DERIVATIVES | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2003-04-16 | — | — | EP | disclosed |