⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL125748 | 1.00 | — | — | |
| SCHEMBL2970008 | 1.00 | — | — | |
| SCHEMBL10757792 | 0.91 | — | — | |
| Oxirane SCHEMBL12465879 | 0.87 | TTR (0.39) | — | |
| Propylene Oxide SCHEMBL7866490 | 0.83 | — | — | |
| Boric Acid SCHEMBL10417592 | 0.83 | LMNA (0.31) | — | |
| Propylene Oxide SCHEMBL8863525 | 0.80 | — | — | |
| Ethylene Glycol SCHEMBL8026273 | 0.80 | — | — | |
| SCHEMBL1859839 | 0.78 | — | — | |
| SCHEMBL305439 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014150132-A1 | INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL | MERCK SHARP & DOHME CORP. (US) | 2014-09-25 | — | — | WO | disclosed |
| EP-2080525-A1 | Remodeling and Glycoconjugation of Peptides | BioGeneriX AG (DE) | 2009-07-22 | — | — | EP | disclosed |