⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14874566 | 0.78 | — | — | |
| SCHEMBL7706544 | 0.72 | — | — | |
| SCHEMBL2066 | 0.69 | — | — | |
| SCHEMBL8862243 | 0.67 | — | — | |
| SCHEMBL5248006 | 0.67 | — | — | |
| SCHEMBL563836 | 0.67 | — | — | |
| SCHEMBL4020147 | 0.67 | — | — | |
| SCHEMBL2231208 | 0.67 | — | — | |
| SCHEMBL10802128 | 0.65 | — | — | |
| SCHEMBL9119250 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20040062744-A1 | Bactericidal disinfectant, antibacterial drug, and antibacterial material | NICCA CHEMICAL CO., LTD. (JP) | 2004-04-01 | — | — | US | disclosed |
| EP-1382344-A1 | BACTERICIDAL DISINFECTANT, ANTIBACTERIAL DRUG, AND ANTIBACTERIAL MATERIAL | Nicca Chemical Co., Ltd. (JP) | 2004-01-21 | — | — | EP | disclosed |