⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL729438 | 0.80 | TSHR (0.39) | — | |
| SCHEMBL7119961 | 0.78 | — | — | |
| SCHEMBL6437610 | 0.75 | — | — | |
| SCHEMBL3048099 | 0.75 | — | — | |
| SCHEMBL1546021 | 0.75 | — | — | |
| SCHEMBL14917487 | 0.75 | — | — | |
| SCHEMBL4380234 | 0.73 | — | — | |
| SCHEMBL25394204 | 0.73 | — | — | |
| Ethylene Glycol SCHEMBL27765700 | 0.73 | ALDH1A1 (0.33) | — | |
| SCHEMBL721492 | 0.72 | TSHR (0.44) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2348859-A1 | PRODRUGS OF OXAZOLIDINONE CETP INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2011-08-03 | — | — | EP | disclosed |
| WO-2010039474-A1 | PRODRUGS OF OXAZOLIDINONE CETP INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2010-04-08 | — | — | WO | disclosed |