⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4881632 | 0.83 | KLKB1 (0.31) | — | |
| SCHEMBL4846413 | 0.80 | — | — | |
| SCHEMBL4852912 | 0.77 | — | — | |
| SCHEMBL6696794 | 0.76 | — | — | |
| SCHEMBL4854368 | 0.76 | — | — | |
| SCHEMBL6691869 | 0.73 | LMNA (0.36) | — | |
| SCHEMBL4849553 | 0.73 | TYR (0.42) | — | |
| SCHEMBL4854667 | 0.70 | — | — | |
| SCHEMBL20799926 | 0.69 | — | — | |
| SCHEMBL4852046 | 0.67 | ALOX5 (0.42) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7396858-B2 | Biguanide derivative and therapeutic agent for diabetes containing the same | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2008-07-08 | — | — | US | disclosed |
| EP-1500656-B1 | BIGUANIDE DERIVATIVES AND THEIR USE AS ANTIDIABETIC DRUGS | CHUGAI PHARMACEUTICAL CO LTD (JP) | 2007-12-12 | — | — | EP | disclosed |
| US-20050124693-A1 | Biguanide derivative and therapeutic agent for diabetes containing the same | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2005-06-09 | — | — | US | disclosed |
| EP-1500656-A1 | BIGUANIDE DERIVATIVE AND THERAPEUTIC AGENT FOR DIABETES CONTAINING THE SAME | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2005-01-26 | — | — | EP | disclosed |