⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3086052 | 0.78 | CRBN (0.40) | — | |
| SCHEMBL7426664 | 0.74 | — | — | |
| SCHEMBL26674171 | 0.74 | — | — | |
| SCHEMBL5608384 | 0.73 | — | — | |
| SCHEMBL4573421 | 0.73 | ALDH1A1 (0.38) | — | |
| SCHEMBL11496250 | 0.72 | — | — | |
| SCHEMBL15136367 | 0.71 | — | — | |
| SCHEMBL14605068 | 0.71 | — | — | |
| SCHEMBL18281075 | 0.70 | ALDH1A1 (0.36) | — | |
| SCHEMBL1275714 | 0.70 | — | — |
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-11142835-B2 | Compounds, their preparation, related compositions, catalysts, electrochemical cells, fuel cells, and uses thereof | UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) | 2021-10-12 | — | — | US | disclosed |
| US-20190106385-A1 | COMPOUNDS, THEIR PREPARATION, RELATED COMPOSITIONS, CATALYSTS, ELECTROCHEMICAL CELLS, FUEL CELLS, AND USES THEREOF | UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) | 2019-04-11 | — | — | US | disclosed |