⚠ 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 | |
|---|---|---|---|---|
| Iodide SCHEMBL1286886 | 0.97 | — | — | |
| Sulfuric Acid SCHEMBL11687352 | 0.88 | KDM4E (0.58) | — | |
| SCHEMBL5864340 | 0.81 | KDM4E (0.45) | — | |
| SCHEMBL11868874 | 0.80 | — | — | |
| SCHEMBL25756906 | 0.74 | — | — | |
| SCHEMBL18330461 | 0.74 | — | — | |
| SCHEMBL4633143 | 0.69 | — | — | |
| SCHEMBL13675690 | 0.69 | — | — | |
| Bromide SCHEMBL8719198 | 0.69 | BLM (0.54) | — | |
| SCHEMBL1136923 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012047630-A2 | N-ALKYL OR N-ARYL SUBSTITUTED GUANIDE AND BIGUANIDE COMPOUNDS AND METHODS OF THEIR USE | TEINTZE MARTIN (US) | 2012-04-12 | — | — | WO | disclosed |