⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29116850 | 0.93 | — | — | |
| SCHEMBL165076 | 0.76 | — | — | |
| SCHEMBL565216 | 0.76 | — | — | |
| SCHEMBL25263794 | 0.72 | — | — | |
| SCHEMBL2482505 | 0.72 | — | — | |
| SCHEMBL11133054 | 0.67 | — | — | |
| SCHEMBL4296667 | 0.65 | CTSA (0.52) | — | |
| SCHEMBL63842 | 0.65 | CTSA (0.52) | — | |
| SCHEMBL29116848 | 0.65 | — | — | |
| SCHEMBL20995455 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0300961-B1 | IMPROVED ANTI-BACTERIAL ORAL COMPOSITION CONTAINING BIS-BIGUANIDO HEXANES | WARNER-LAMBERT COMPANY (US) | 1992-09-09 | — | — | EP | disclosed |
| US-5100650-A | Increased activity of chlorhexidine, ethylene oxide-propylene oxide copolymer, ethoxylated hydrogenated castor oil, sorbitol | WARNER-LAMBERT COMPANY (US) | 1992-03-31 | — | — | US | disclosed |
| EP-0306455-A1 | Cyclodextrin complexes of bis-biguanido hexane compounds | WARNER-LAMBERT COMPANY (US) | 1989-03-08 | — | — | EP | disclosed |
| EP-0300961-A1 | Improved anti-bacterial oral composition containing bis-biguanido hexanes | WARNER-LAMBERT COMPANY (US) | 1989-01-25 | — | — | EP | disclosed |