⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL194004 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL10690061 | 0.72 | — | — | |
| SCHEMBL5461021 | 0.72 | ALDH1A1 (0.44) | — | |
| SCHEMBL247472 | 0.72 | — | — | |
| Selenium SCHEMBL9248185 | 0.72 | ALDH1A1 (0.44) | — | |
| SCHEMBL25474034 | 0.72 | — | — | |
| SCHEMBL5665133 | 0.72 | — | — | |
| SCHEMBL1813362 | 0.72 | — | — | |
| SCHEMBL437859 | 0.72 | — | — | |
| SCHEMBL207868 | 0.72 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-4235979-A | — | — | None | — | — | JP | disclosed |
| US-20110207726-A1 | Inhibitors of Human Cathepsin L, Cathepsin B, and Cathepsin S | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA | 2011-08-25 | — | — | US | disclosed |
| JP-H04235979-A | THIADIAZOLYLOXYACETOAMIDE SUBSTITUTED BY CYCLOALKYL | BAYER AG | 1992-08-25 | — | — | JP | disclosed |
| EP-0259871-A1 | Indolinones substituted by heterocycles, process for their preparation and medicines containing them | Roche Diagnostics GmbH (DE) | 1988-03-16 | — | — | EP | disclosed |