⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL28322829 | 0.97 | — | — | |
| SCHEMBL216689 | 0.75 | ALDH1A1 (0.43) | — | |
| SCHEMBL177556 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL7635615 | 0.72 | — | — | |
| SCHEMBL6862722 | 0.72 | — | — | |
| Methane SCHEMBL28272512 | 0.72 | — | — | |
| Bromide SCHEMBL27481095 | 0.72 | — | — | |
| SCHEMBL815895 | 0.69 | ALDH1A1 (0.39) | — | |
| SCHEMBL451574 | 0.69 | — | — | |
| SCHEMBL115881 | 0.69 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017170765-A1 | NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND | 田辺三菱製薬株式会社 | 2017-10-05 | — | — | WO | disclosed |
| EP-1498411-B1 | DIKETOHYDRAZINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT | ONO PHARMACEUTICAL CO (JP) | 2013-01-16 | — | — | EP | disclosed |
| US-8138182-B2 | Diketohydrazine derivative compounds and drugs containing the compounds as the active ingredient | ONO PHARMACEUTICAL CO., LTD. (JP) | 2012-03-20 | — | — | US | disclosed |
| US-8138182-B2 | Diketohydrazine derivative compounds and drugs containing the compounds as the active ingredient | ONO PHARMACEUTICAL CO., LTD. (JP) | 2012-03-20 | — | — | US | disclosed |
| US-20100087442-A1 | DIKETOHYDRAZINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT | ONO PHARMACEUTICAL CO., LTD (JP) | 2010-04-08 | — | — | US | disclosed |
| US-20100087442-A1 | DIKETOHYDRAZINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT | ONO PHARMACEUTICAL CO., LTD (JP) | 2010-04-08 | — | — | US | disclosed |
| US-7655804-B2 | N-[(1S)-3-{(2Z)-2-[(4R)-3,4-dimethyl-1,3-thiazolidin-2-ylidene]hydrazino}-2,3-dioxo-1-(tetrahydro-2H-pyran-4-yl)propyl]cycloheptanecarboxamide; cysteine protease inhibitors; for the treatment of inflammatory, immune, ischemic, respiratory,circulatory, neuronal, blood, hepatic and metabolic diseases | ONO PHARMACEUTICAL CO., LTD. (JP) | 2010-02-02 | — | — | US | disclosed |
| US-7655804-B2 | N-[(1S)-3-{(2Z)-2-[(4R)-3,4-dimethyl-1,3-thiazolidin-2-ylidene]hydrazino}-2,3-dioxo-1-(tetrahydro-2H-pyran-4-yl)propyl]cycloheptanecarboxamide; cysteine protease inhibitors; for the treatment of inflammatory, immune, ischemic, respiratory,circulatory, neuronal, blood, hepatic and metabolic diseases | ONO PHARMACEUTICAL CO., LTD. (JP) | 2010-02-02 | — | — | US | disclosed |
| US-4883344-A | MULTILAYER FERROELECTRIC ELEMENT/STABILITY | CANON KABUSHIKI KAISHA (JP) | 1989-11-28 | — | — | US | disclosed |
| US-4820026-A | UNIFORMITY, STABILITY, LARGE TILT ANGLE; INCLUDING UNSATURATED SILICON MONOMER | CANON KABUSHIKI KAISHA (JP) | 1989-04-11 | — | — | US | disclosed |