⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9235649 | 0.93 | — | — | |
| SCHEMBL1505132 | 0.93 | — | — | |
| SCHEMBL20361795 | 0.87 | GRIN2D (0.37) | — | |
| SCHEMBL1205488 | 0.85 | SPHK2 (0.39) | — | |
| SCHEMBL8070978 | 0.83 | SPHK2 (0.38) | — | |
| SCHEMBL11133159 | 0.83 | — | — | |
| SCHEMBL1937656 | 0.83 | SPHK2 (0.42) | — | |
| SCHEMBL1938682 | 0.83 | SPHK2 (0.42) | — | |
| SCHEMBL19371464 | 0.81 | — | — | |
| SCHEMBL1151082 | 0.81 | — | — |
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-0643044-A1 | Bis-biguanide compound useful as a disinfectant | MITSUBISHI MATERIALS CORPORATION (JP) | 1995-03-15 | — | — | EP | disclosed |