⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20117452 | 1.00 | — | — | |
| SCHEMBL12959755 | 0.74 | — | — | |
| SCHEMBL19157040 | 0.74 | — | — | |
| SCHEMBL15171168 | 0.71 | — | — | |
| SCHEMBL13540239 | 0.71 | — | — | |
| SCHEMBL12406689 | 0.71 | — | — | |
| SCHEMBL19271674 | 0.71 | — | — | |
| SCHEMBL18756577 | 0.70 | — | — | |
| SCHEMBL22295939 | 0.67 | — | — | |
| SCHEMBL18083691 | 0.67 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3689881-A1 | MACROCYCLIZATION REACTIONS AND INTERMEDIATES USEFUL IN THE SYNTHESIS OF ANALOGS OF HALICHONDRIN B | Eisai R&D Management Co., Ltd. (JP) | 2020-08-05 | — | — | EP | disclosed |
| CN-106574020-B | Copolymer and formed body | 株式会社可乐丽 | 2019-03-19 | — | — | CN | disclosed |
| CN-104995223-B | Copolymer and formed body | 株式会社可乐丽 | 2017-09-08 | — | — | CN | disclosed |
| US-8975300-B2 | Ketone compounds and compositions for cholesterol management and related uses | ESPERION THERAPEUTICS, INC. (US) | 2015-03-10 | — | — | US | disclosed |
| US-20140228439-A1 | KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES | ESPERION THERAPEUTICS, INC. (US) | 2014-08-14 | — | — | US | disclosed |