⚠ 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 | |
|---|---|---|---|---|
| Ethylene Glycol Diformate SCHEMBL827902 | 0.76 | — | — | |
| SCHEMBL1223591 | 0.76 | — | — | |
| SCHEMBL3210593 | 0.74 | — | — | |
| SCHEMBL1107 | 0.70 | — | — | |
| SCHEMBL6213933 | 0.70 | — | — | |
| SCHEMBL9447778 | 0.70 | — | — | |
| SCHEMBL2660 | 0.69 | — | — | |
| SCHEMBL813378 | 0.67 | ALDH1A1 (0.32) | — | |
| SCHEMBL126792 | 0.67 | ALDH1A1 (0.32) | — | |
| SCHEMBL10529106 | 0.67 | MEN1 (0.32) | — |
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-1059293-A1 | Novel amino chlorothiazole compounds | Microcide Pharmaceuticals, Inc. (US) | 2000-12-13 | — | — | EP | claimed |
| US-5859256-A | CHLORINATION; USEFUL AS ANTIBACTERIAL AGENTS AND IN TREATING DISEASES CAUSED BY ORGANISMS WHICH ARE RESISTANT TO BETA-LACTAM ANTIBIOTICS | MICROCIDE PHARMACEUTICALS, INC. (US) | 1999-01-12 | — | — | US | claimed |
| EP-0874854-A2 | CEPHALOSPORIN ANTIBIOTICS | Microcide Pharmaceuticals, Inc. (US) | 1998-11-04 | — | — | EP | claimed |
| WO-1997013772-A2 | CEPHALOSPORIN ANTIBIOTICS | MICROCIDE PHARMACEUTICALS, INC. (US) | 1997-04-17 | — | — | WO | claimed |