⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28787602 | 0.67 | — | — | |
| SCHEMBL1139862 | 0.67 | — | — | |
| SCHEMBL6027845 | 0.67 | — | — | |
| SCHEMBL11316703 | 0.67 | — | — | |
| SCHEMBL7642956 | 0.66 | — | — | |
| SCHEMBL29885950 | 0.66 | — | — | |
| SCHEMBL28830794 | 0.64 | — | — | |
| SCHEMBL4876092 | 0.62 | — | — | |
| SCHEMBL31491251 | 0.62 | — | — | |
| SCHEMBL28131304 | 0.62 | — | — |
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-2019593-A1 | PRO-DRUGS OF TERTIARY ALCOHOLS | Merck & Co., Inc. (US) | 2009-02-04 | — | — | EP | disclosed |
| WO-2007136571-A1 | PRO-DRUGS OF TERTIARY ALCOHOLS | MERCK & CO., INC. (US) | 2007-11-29 | — | — | WO | disclosed |