⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1082577 | 0.72 | EPHX2 (0.31) | — | |
| SCHEMBL14247139 | 0.69 | KDM4E (0.37) | — | |
| SCHEMBL3844720 | 0.67 | — | — | |
| SCHEMBL30067725 | 0.67 | DPP4 (0.31) | — | |
| SCHEMBL16759067 | 0.67 | — | — | |
| SCHEMBL2902074 | 0.66 | — | — | |
| SCHEMBL1190395 | 0.66 | L3MBTL1 (0.33) | — | |
| SCHEMBL996094 | 0.65 | DPP4 (0.32) | — | |
| SCHEMBL1710431 | 0.65 | — | — | |
| SCHEMBL1419988 | 0.65 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2297129-A1 | SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT | Merck Sharp & Dohme Corp. (US) | 2011-03-23 | — | — | EP | disclosed |