⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9345714 | 0.76 | — | — | |
| SCHEMBL8646949 | 0.69 | — | — | |
| SCHEMBL47773 | 0.65 | — | — | |
| SCHEMBL22638744 | 0.64 | — | — | |
| SCHEMBL4299176 | 0.62 | — | — | |
| SCHEMBL2105255 | 0.60 | ALOX15 (0.33) | — | |
| SCHEMBL7510728 | 0.60 | — | — | |
| SCHEMBL14199249 | 0.60 | — | — | |
| SCHEMBL8824826 | 0.60 | — | — | |
| SCHEMBL19712699 | 0.60 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108473439-A | Pyrazolone derivative as nitroxyl donors | 卡尔迪奥克斯尔制药公司 | 2018-08-31 | — | — | CN | disclosed |
| EP-3365328-A1 | PYRAZOLONE DERIVATIVES AS NITROXYL DONORS | Cardioxyl Pharmaceuticals, Inc. (US) | 2018-08-29 | — | — | EP | disclosed |
| WO-2017070081-A1 | PYRAZOLONE DERIVATIVES AS NITROXYL DONORS | CARDIOXYL PHARMACEUTICALS, INC. (US) | 2017-04-27 | — | — | WO | disclosed |
| EP-1389104-A2 | 3-AMINOALKYL-2-ARYL-INDOLE DERIVATIVES AND THEIR USE AS GNRH ANTAGONISTS | Astrazeneca AB (SE) | 2004-02-18 | — | — | EP | disclosed |
| WO-2002092565-A2 | 3-AMINOALKYL-2-ARYL-INDOLE DERIVATIVES AND THEIR USE AS GNRH ANTAGONISTS | ASTRAZENECA AB (SE) | 2002-11-21 | — | — | WO | disclosed |
| EP-0882728-B1 | 1-METHYLCARBAPENEM DERIVATIVES | SANKYO CO (JP) | 2002-09-04 | — | — | EP | disclosed |
| EP-0900797-B1 | A 1-METHYLCARBAPENEM DERIVATIVE | SANKYO CO (JP) | 2002-08-21 | — | — | EP | disclosed |
| CN-1364153-A | Substituted phenoxyacetic acids | INST PHARMACEUTICAL DISCOVERY (US) | 2002-08-14 | — | — | CN | disclosed |
| US-6090802-A | BACTERICIDE | SANKYO COMPANY, LIMITED (JP) | 2000-07-18 | — | — | US | disclosed |
| US-5977097-A | 1-methylcarbapenem derivatives | SANKYO COMPANY LIMITED (JP) | 1999-11-02 | — | — | US | disclosed |
| EP-0900797-A1 | 1-METHYLCARBAPENEM DERIVATIVES | SANKYO COMPANY LIMITED (JP) | 1999-03-10 | — | — | EP | disclosed |
| EP-0882728-A1 | 1-METHYLCARBAPENEM DERIVATIVES | SANKYO COMPANY LIMITED (JP) | 1998-12-09 | — | — | EP | disclosed |