⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL36310 | 0.97 | CYP2C19 (0.44) | — | |
| SCHEMBL11006083 | 0.94 | CYP2C19 (0.42) | — | |
| SCHEMBL4867393 | 0.93 | — | — | |
| SCHEMBL198365 | 0.86 | — | — | |
| SCHEMBL23245204 | 0.69 | CYP2C19 (0.42) | — | |
| Hydrochloric Acid SCHEMBL4461485 | 0.69 | CYP2C19 (0.42) | — | |
| SCHEMBL11208917 | 0.69 | CYP2C19 (0.42) | — | |
| SCHEMBL440358 | 0.69 | CYP2C19 (0.42) | — | |
| SCHEMBL208167 | 0.69 | CYP2C19 (0.42) | — | |
| Hydrochloric Acid SCHEMBL28338549 | 0.69 | CYP2C19 (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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6444616-B1 | HERBICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 2002-09-03 | — | — | US | disclosed |
| US-6130225-A | Substituted p-trifluoromethylphenyluracils | BAYER AKTIENGESELLSCHAFT (DE) | 2000-10-10 | — | — | US | disclosed |
| EP-0923562-A1 | SUBSTITUTED P-TRIFLUOROMETHYLPHENYLURACILS | BAYER AG (DE) | 1999-06-23 | — | — | EP | disclosed |
| WO-1998006706-A1 | SUBSTITUTED P-TRIFLUOROMETHYLPHENYLURACILS | BAYER AKTIENGESELLSCHAFT (DE) | 1998-02-19 | — | — | WO | disclosed |
| EP-0341910-B1 | Cephalosporins, process for their preparation, intermediates and pharmaceutical compositions | ICI PLC (GB) | 1994-11-23 | — | — | EP | disclosed |
| US-5126444-A | Antibiotics | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1992-06-30 | — | — | US | disclosed |
| US-5064824-A | CEPHALOSPORIN COMPOUNDS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1991-11-12 | — | — | US | disclosed |
| EP-0341910-A2 | Cephalosporins, process for their preparation, intermediates and pharmaceutical compositions | ZENECA LIMITED (GB) | 1989-11-15 | — | — | EP | disclosed |
| EP-0122158-A2 | Improvements in or relating to benzothienyl cephalosporin antibiotics | ELI LILLY AND COMPANY (US) | 1984-10-17 | — | — | EP | disclosed |