⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10368385 | 0.80 | — | — | |
| SCHEMBL2788840 | 0.79 | ALDH1A1 (0.44) | — | |
| SCHEMBL3084306 | 0.77 | — | — | |
| SCHEMBL501135 | 0.77 | — | — | |
| SCHEMBL28910735 | 0.77 | ALDH1A1 (0.44) | — | |
| Hydrochloric Acid SCHEMBL9402312 | 0.76 | ALDH1A1 (0.48) | — | |
| SCHEMBL10484371 | 0.76 | ALDH1A1 (0.48) | — | |
| Ammonia Solution, Strong SCHEMBL28112564 | 0.76 | ALDH1A1 (0.48) | — | |
| Methane SCHEMBL11616604 | 0.76 | ALDH1A1 (0.48) | — | |
| SCHEMBL11868960 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3150648-A1 | AQUEOUS FUNCTIONALIZED POLYURETHANE DISPERSIONS | Henkel AG & Co. KGaA (DE) | 2017-04-05 | — | — | EP | disclosed |
| CN-105541860-A | Spiro ketal compound used as citrus fruit fly insect pheromone as well as preparation method and use thereof | UNIV SOUTH CHINA TECH | 2016-05-04 | — | — | CN | disclosed |
| WO-2011146577-A2 | REMENDABLE INTERFACES FOR POLYMER COMPOSITES | DREXEL UNIVERSITY (US) | 2011-11-24 | — | — | WO | disclosed |
| WO-2007036733-A1 | PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS | GLAXO GROUP LIMITED (GB) | 2007-04-05 | — | — | WO | disclosed |