⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2890296 | 0.65 | — | — | |
| SCHEMBL2040935 | 0.59 | — | — | |
| SCHEMBL11405724 | 0.58 | KMT2A (0.38) | — | |
| SCHEMBL15957606 | 0.51 | TDP1 (0.50) | — | |
| SCHEMBL7592620 | 0.51 | TDP1 (0.50) | — | |
| Nitromethane SCHEMBL28869729 | 0.50 | — | — | |
| SCHEMBL11204366 | 0.48 | MEN1 (0.75) | — | |
| SCHEMBL3091709 | 0.48 | — | — | |
| SCHEMBL1238559 | 0.48 | MEN1 (0.75) | — | |
| Nitromethane SCHEMBL11049968 | 0.47 | — | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2085394-B1 | Metronidazole derivatives as antiparasitic agents | UNIV JORDAN (JO) | 2012-06-06 | — | — | EP | claimed |
| EP-2085394-A2 | Metronidazole derivatives as antiparasitic agents | Legal Affairs Office University of Jordan (JO) | 2009-08-05 | — | — | EP | claimed |
| CN-109651350-B | Heterocyclic substituted 1,3,4-oxa (thia) diazoles compound and preparation method and application thereof | 贵州大学 | 2022-05-24 | — | — | CN | disclosed |
| EP-2085394-B1 | Metronidazole derivatives as antiparasitic agents | UNIV JORDAN (JO) | 2012-06-06 | — | — | EP | disclosed |
| EP-2085394-A3 | Metronidazole derivatives as antiparasitic agents | Legal Affairs Office University of Jordan (JO) | 2009-11-18 | — | — | EP | disclosed |
| EP-2085394-A2 | Metronidazole derivatives as antiparasitic agents | Legal Affairs Office University of Jordan (JO) | 2009-08-05 | — | — | EP | disclosed |
| EP-2085394-A2 | Metronidazole derivatives as antiparasitic agents | Legal Affairs Office University of Jordan (JO) | 2009-08-05 | — | — | EP | disclosed |
| EP-0956016-A4 | PHARMACEUTICAL COMPOUNDS COMPRISING POLYAMINES SUBSTITUTED WITH ELECTRON-AFFINIC GROUPS | UNIV FLORIDA STATE (US) | 2001-11-14 | — | — | EP | disclosed |
| EP-0956016-A1 | PHARMACEUTICAL COMPOUNDS COMPRISING POLYAMINES SUBSTITUTED WITH ELECTRON-AFFINIC GROUPS | Florida State University (US) | 1999-11-17 | — | — | EP | disclosed |
| WO-1998014190-A9 | PHARMACEUTICAL COMPOUNDS COMPRISING POLYAMINES SUBSTITUTED WITH ELECTRON-AFFINIC GROUPS | — | 1998-07-30 | — | — | WO | disclosed |
| WO-1998014190-A1 | PHARMACEUTICAL COMPOUNDS COMPRISING POLYAMINES SUBSTITUTED WITH ELECTRON-AFFINIC GROUPS | FLORIDA STATE UNIVERSITY (US) | 1998-04-09 | — | — | WO | disclosed |
| EP-0772611-A1 | PIPERAZINE THIOPYRIDINES FOR CONTROLLING HELICOBACTER BACTERIA | Byk Gulden Lomberg Chemische Fabrik GmbH (DE) | 1997-05-14 | — | — | EP | disclosed |
| EP-0764160-A1 | THIOPYRIDINES FOR USE IN THE CONTROL OF HELICOBACTER BACTERIA | Byk Gulden Lomberg Chemische Fabrik GmbH (DE) | 1997-03-26 | — | — | EP | disclosed |
| EP-0706523-A1 | SUBSTITUTED ARYLTHIOALKYLTHIOPYRIDINES | Byk Gulden Lomberg Chemische Fabrik GmbH (DE) | 1996-04-17 | — | — | EP | disclosed |
| WO-1996002534-A1 | PIPERAZINE THIOPYRIDINES FOR CONTROLLING HELICOBACTER BACTERIA | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1996-02-01 | — | — | WO | disclosed |
| WO-1995034553-A1 | THIOPYRIDINES FOR USE IN THE CONTROL OF HELICOBACTER BACTERIA | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1995-12-21 | — | — | WO | disclosed |