⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25739575 | 0.86 | — | — | |
| SCHEMBL24754156 | 0.82 | ESR2 (0.32) | — | |
| SCHEMBL21088255 | 0.76 | NCF1 (0.34) | — | |
| SCHEMBL25893655 | 0.74 | — | — | |
| Acetonitrile SCHEMBL8875670 | 0.74 | — | — | |
| SCHEMBL18637326 | 0.72 | — | — | |
| Water SCHEMBL9548508 | 0.69 | ESR1 (0.44) | — | |
| SCHEMBL2267415 | 0.66 | ESR2 (0.46) | — | |
| SCHEMBL27912 | 0.66 | ESR2 (0.46) | — | |
| SCHEMBL130642 | 0.66 | ESR2 (0.46) | — |
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-2760855-B1 | SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AS WELL AS THEIR USE IN TREATING TYPE-2 DIABETES | MERCK SHARP & DOHME (US) | 2017-03-15 | — | — | EP | disclosed |