⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL10840793 | 0.95 | — | — | |
| Iodide SCHEMBL11169882 | 0.95 | — | — | |
| SCHEMBL6736939 | 0.75 | NOS3 (0.46) | — | |
| SCHEMBL6965410 | 0.70 | — | — | |
| SCHEMBL13281124 | 0.67 | KMT2A (0.35) | — | |
| SCHEMBL3289759 | 0.67 | — | — | |
| SCHEMBL8906024 | 0.65 | — | — | |
| SCHEMBL11819355 | 0.65 | ALDH1A1 (0.38) | — | |
| SCHEMBL8907250 | 0.65 | — | — | |
| SCHEMBL3296119 | 0.64 | SMN1; SMN2 (0.46) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |